(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]butanamide

C18H32N4O — CID 92602996

IUPAC(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]butanamide
SMILESCc1cc(C)n([C@H](C)CC(=O)NC[C@H](C)N2CCC(C)CC2)n1
InChIInChI=1S/C18H32N4O/c1-13-6-8-21(9-7-13)17(5)12-19-18(23)11-16(4)22-15(3)10-14(2)20-22/h10,13,16-17H,6-9,11-12H2,1-5H3,(H,19,23)/t16-,17+/m1/s1
InChIKeyMMZFLIRCMSJTHH-SJORKVTESA-N
MW320.48 g/mol
LogP2.69
Rot. Bonds6

About (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]butanamide

(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]butanamide (PubChem CID 92602996) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]butanamide.

Molecular Properties

Compound Name(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]butanamide
PubChem CID92602996
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]butanamide
SMILESCc1cc(C)n([C@H](C)CC(=O)NC[C@H](C)N2CCC(C)CC2)n1
InChIInChI=1S/C18H32N4O/c1-13-6-8-21(9-7-13)17(5)12-19-18(23)11-16(4)22-15(3)10-14(2)20-22/h10,13,16-17H,6-9,11-12H2,1-5H3,(H,19,23)/t16-,17+/m1/s1
InChIKeyMMZFLIRCMSJTHH-SJORKVTESA-N
XLogP2.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1-isobutyl-3-oxo-2-piperazinyl)acetamide
CID 16190571
5-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-1,5-diazacycloundecan-2-one
CID 110201380
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]acetamide
CID 16191009
N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 856392
1-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-4-piperidinecarbothioamide
CID 58078897
2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(propan-2-yl)propanamide
CID 5241859
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16191037
2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]acetamide
CID 16192290
1-(cyclohexylmethyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24817602
1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 49786572
N,N-diethyl-1-{2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl}piperidine-3-carboxamide
CID 50976449
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbutanamide
CID 51075402

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]butanamide?
The IUPAC name of (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]butanamide (CID 92602996) is (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]butanamide.
What is the SMILES notation for (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]butanamide?
The canonical SMILES for (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]butanamide is Cc1cc(C)n([C@H](C)CC(=O)NC[C@H](C)N2CCC(C)CC2)n1.
What is the InChIKey of (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]butanamide?
The InChIKey is MMZFLIRCMSJTHH-SJORKVTESA-N. The full InChI is InChI=1S/C18H32N4O/c1-13-6-8-21(9-7-13)17(5)12-19-18(23)11-16(4)22-15(3)10-14(2)20-22/h10,13,16-17H,6-9,11-12H2,1-5H3,(H,19,23)/t16-,17+/m1/s1.
What are the key properties of (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]butanamide?
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]butanamide has a molecular weight of 320.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]butanamide is sourced from PubChem (CID 92602996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).