1-(methoxymethyl)-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclobutane-1-carboxamide

C19H32N4O2 — CID 72862602

IUPAC1-(methoxymethyl)-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)N[C@H]2CN(Cc3cc(C)[nH]n3)C[C@@H]2C(C)C)CCC1
InChIInChI=1S/C19H32N4O2/c1-13(2)16-10-23(9-15-8-14(3)21-22-15)11-17(16)20-18(24)19(12-25-4)6-5-7-19/h8,13,16-17H,5-7,9-12H2,1-4H3,(H,20,24)(H,21,22)/t16-,17+/m1/s1
InChIKeyPFKQJICFMLCAKS-SJORKVTESA-N
MW348.49 g/mol
LogP2.11
Rot. Bonds7

About 1-(methoxymethyl)-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclobutane-1-carboxamide

1-(methoxymethyl)-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclobutane-1-carboxamide (PubChem CID 72862602) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(methoxymethyl)-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(methoxymethyl)-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclobutane-1-carboxamide
PubChem CID72862602
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-(methoxymethyl)-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)N[C@H]2CN(Cc3cc(C)[nH]n3)C[C@@H]2C(C)C)CCC1
InChIInChI=1S/C19H32N4O2/c1-13(2)16-10-23(9-15-8-14(3)21-22-15)11-17(16)20-18(24)19(12-25-4)6-5-7-19/h8,13,16-17H,5-7,9-12H2,1-4H3,(H,20,24)(H,21,22)/t16-,17+/m1/s1
InChIKeyPFKQJICFMLCAKS-SJORKVTESA-N
XLogP2.11
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US10022354, Example 181
CID 132070214
2-[(5-methyl-1H-pyrazol-3-yl)methyl]-N-(2,2,2-trifluoroethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 131682740
1-(methoxymethyl)-N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]cyclobutanecarboxamide
CID 50962554
N-(1-formylpyrrolidin-3-yl)-2-methylcyclobutane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole
CID 145062635
N-(5-formyl-5-azaspiro[2.4]heptan-7-yl)cyclopropanecarboxamide;methoxymethane;5-methyl-3-propan-2-yl-1H-pyrazole
CID 145062686
N-(1-formylpyrrolidin-3-yl)-3-methylcyclobutane-1-carboxamide;5-methyl-3-propan-2-yl-1H-pyrazole
CID 145063037
N-{rel-(3R,4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-isopropyl-3-pyrrolidinyl}-3-methoxypropanamide hydrochloride
CID 72857374
2-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72899245
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72938884
3-ethoxy-N-{rel-(3R,4S)-4-isopropyl-1-[(3-methyl-1H-pyrazol-5-yl)methyl]-3-pyrrolidinyl}propanamide hydrochloride
CID 86283240
1-(methoxymethyl)-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclobutane-1-carboxamide
CID 95126674
1-(methoxymethyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclobutane-1-carboxamide
CID 95126675

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(methoxymethyl)-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclobutane-1-carboxamide (CID 72862602) is 1-(methoxymethyl)-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(methoxymethyl)-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(methoxymethyl)-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclobutane-1-carboxamide is COCC1(C(=O)N[C@H]2CN(Cc3cc(C)[nH]n3)C[C@@H]2C(C)C)CCC1.
What is the InChIKey of 1-(methoxymethyl)-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclobutane-1-carboxamide?
The InChIKey is PFKQJICFMLCAKS-SJORKVTESA-N. The full InChI is InChI=1S/C19H32N4O2/c1-13(2)16-10-23(9-15-8-14(3)21-22-15)11-17(16)20-18(24)19(12-25-4)6-5-7-19/h8,13,16-17H,5-7,9-12H2,1-4H3,(H,20,24)(H,21,22)/t16-,17+/m1/s1.
What are the key properties of 1-(methoxymethyl)-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclobutane-1-carboxamide?
1-(methoxymethyl)-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclobutane-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-N-[(3R,4S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 72862602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).