3-(azocan-1-yl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropanamide

C19H34N4O — CID 46987116

IUPAC3-(azocan-1-yl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropanamide
SMILESCc1n[nH]c(C)c1CCCN(C)C(=O)CCN1CCCCCCC1
InChIInChI=1S/C19H34N4O/c1-16-18(17(2)21-20-16)10-9-12-22(3)19(24)11-15-23-13-7-5-4-6-8-14-23/h4-15H2,1-3H3,(H,20,21)
InChIKeyPNKLWHICBRBKMT-UHFFFAOYSA-N
MW334.51 g/mol
LogP3.07
Rot. Bonds7

About 3-(azocan-1-yl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropanamide

3-(azocan-1-yl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropanamide (PubChem CID 46987116) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is 3-(azocan-1-yl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(azocan-1-yl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropanamide
PubChem CID46987116
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name3-(azocan-1-yl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropanamide
SMILESCc1n[nH]c(C)c1CCCN(C)C(=O)CCN1CCCCCCC1
InChIInChI=1S/C19H34N4O/c1-16-18(17(2)21-20-16)10-9-12-22(3)19(24)11-15-23-13-7-5-4-6-8-14-23/h4-15H2,1-3H3,(H,20,21)
InChIKeyPNKLWHICBRBKMT-UHFFFAOYSA-N
XLogP3.07
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-oxo-3-piperidinecarboxamide
CID 24790910
1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 24818911
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 56707907
N-[(1-cyclopentylpiperidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 56714649
N-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 84595015
7-(2,2-dimethylpropyl)-2-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decane
CID 56912204
2-azocan-1-yl-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethanamine
CID 70758046
1-({1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-piperidinyl}methyl)-2-pyrrolidinone
CID 70767195
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 71866632
(3R*,4S*)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-isopropyl-N,N-dimethyl-3-pyrrolidinamine
CID 72838660
N~1~-(tert-butyl)-N~3~-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N~3~-methyl-beta-alaninamide
CID 91830246
(2S)-N-cyclopentyl-2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propylamino]propanamide
CID 95228275

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropanamide?
The IUPAC name of 3-(azocan-1-yl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropanamide (CID 46987116) is 3-(azocan-1-yl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropanamide.
What is the SMILES notation for 3-(azocan-1-yl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropanamide?
The canonical SMILES for 3-(azocan-1-yl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropanamide is Cc1n[nH]c(C)c1CCCN(C)C(=O)CCN1CCCCCCC1.
What is the InChIKey of 3-(azocan-1-yl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropanamide?
The InChIKey is PNKLWHICBRBKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-16-18(17(2)21-20-16)10-9-12-22(3)19(24)11-15-23-13-7-5-4-6-8-14-23/h4-15H2,1-3H3,(H,20,21).
What are the key properties of 3-(azocan-1-yl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropanamide?
3-(azocan-1-yl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropanamide has a molecular weight of 334.51 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylpropanamide is sourced from PubChem (CID 46987116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).