N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide

C18H31N5O2 — CID 91923207

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)N[C@@H]2CN(C3CCOCC3)C[C@H]2CN(C)C)c1
InChIInChI=1S/C18H31N5O2/c1-14-8-19-23(9-14)13-18(24)20-17-12-22(11-15(17)10-21(2)3)16-4-6-25-7-5-16/h8-9,15-17H,4-7,10-13H2,1-3H3,(H,20,24)/t15-,17-/m1/s1
InChIKeyMUTOUTYKTWNWJJ-NVXWUHKLSA-N
MW349.48 g/mol
LogP0.35
Rot. Bonds6

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 91923207) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID91923207
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)N[C@@H]2CN(C3CCOCC3)C[C@H]2CN(C)C)c1
InChIInChI=1S/C18H31N5O2/c1-14-8-19-23(9-14)13-18(24)20-17-12-22(11-15(17)10-21(2)3)16-4-6-25-7-5-16/h8-9,15-17H,4-7,10-13H2,1-3H3,(H,20,24)/t15-,17-/m1/s1
InChIKeyMUTOUTYKTWNWJJ-NVXWUHKLSA-N
XLogP0.35
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxan-4-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53619702
N-(1-ethylpiperidin-4-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 53623783
2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 53626853
2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(oxan-4-yl)acetamide
CID 56780299
N-(oxan-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 63099547
N-(1-cyclopropylpiperidin-4-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 72141841
N-[rel-(3R,4S)-1-(3-hydroxypropyl)-4-propyl-3-pyrrolidinyl]-2-(4-methyl-1H-pyrazol-1-yl)acetamide hydrochloride
CID 72842986
N-[rel-(3R,4S)-1-(2-methoxyethyl)-4-propyl-3-pyrrolidinyl]-2-(4-methyl-1H-pyrazol-1-yl)acetamide hydrochloride
CID 72866913
N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-3-(4-methyl-1H-pyrazol-1-YL)propanamide
CID 91923160
N-{4-[(Dimethylamino)methyl]-1-(oxan-4-YL)pyrrolidin-3-YL}-3-(4-methyl-1H-pyrazol-1-YL)propanamide
CID 91923204
(3S,4S)-4-(methoxymethyl)-N-methyl-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 110203522
(3S,4S)-N-cyclopropyl-4-(methoxymethyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 110203742

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide (CID 91923207) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide is Cc1cnn(CC(=O)N[C@@H]2CN(C3CCOCC3)C[C@H]2CN(C)C)c1.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is MUTOUTYKTWNWJJ-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-14-8-19-23(9-14)13-18(24)20-17-12-22(11-15(17)10-21(2)3)16-4-6-25-7-5-16/h8-9,15-17H,4-7,10-13H2,1-3H3,(H,20,24)/t15-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 349.48 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 91923207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).