N-[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide

C15H26N4O — CID 130365423

IUPACN-[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)N1C[C@H](NC(=O)c2cnn(C(C)C)c2)[C@@H](C)C1
InChIInChI=1S/C15H26N4O/c1-10(2)18-7-12(5)14(9-18)17-15(20)13-6-16-19(8-13)11(3)4/h6,8,10-12,14H,7,9H2,1-5H3,(H,17,20)/t12-,14-/m0/s1
InChIKeySKNWEHAAHRLAAV-JSGCOSHPSA-N
MW278.40 g/mol
LogP1.92
Rot. Bonds4

About N-[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide

N-[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 130365423) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID130365423
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)N1C[C@H](NC(=O)c2cnn(C(C)C)c2)[C@@H](C)C1
InChIInChI=1S/C15H26N4O/c1-10(2)18-7-12(5)14(9-18)17-15(20)13-6-16-19(8-13)11(3)4/h6,8,10-12,14H,7,9H2,1-5H3,(H,17,20)/t12-,14-/m0/s1
InChIKeySKNWEHAAHRLAAV-JSGCOSHPSA-N
XLogP1.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,2-dimethyl-1-(pyrazolylmethyl)propyl](1-methylpyrazol-4-yl)carboxamide
CID 19575931
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CID 35276265
N-methyl-4-[(1-methylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide
CID 45831942
N-cyclopropyl-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide
CID 53549213
N-(1-ethylpiperidin-4-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 53623783
5-[3-(Aminomethyl)pyrrolidin-1-yl]-2-[3-(4-methylpyrazol-1-yl)propyl]pyridazin-3-one
CID 56898058
1-(2-aminoethyl)-N-[(1-propyl-1H-pyrazol-4-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 70771814
N-{rel-(3R,4S)-4-cyclopropyl-1-[3-(methylthio)propyl]-3-pyrrolidinyl}-1-methyl-1H-pyrazole-4-carboxamide hydrochloride
CID 72907256
1-[(1-Propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 95817242
[(1R)-1-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3-methylbutyl]boronic acid
CID 177377105
1-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide
CID 28742812
(2S)-2-methyl-1-(1-methyl-1H-pyrazole-4-carbonyl)piperazine dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide (CID 130365423) is N-[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)N1C[C@H](NC(=O)c2cnn(C(C)C)c2)[C@@H](C)C1.
What is the InChIKey of N-[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is SKNWEHAAHRLAAV-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10(2)18-7-12(5)14(9-18)17-15(20)13-6-16-19(8-13)11(3)4/h6,8,10-12,14H,7,9H2,1-5H3,(H,17,20)/t12-,14-/m0/s1.
What are the key properties of N-[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide?
N-[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 130365423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).