N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide

C19H32N4O — CID 56707907

IUPACN-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
SMILESCc1[nH]nc(CCC(=O)NCC2CCN(C3CCCCC3)C2)c1C
InChIInChI=1S/C19H32N4O/c1-14-15(2)21-22-18(14)8-9-19(24)20-12-16-10-11-23(13-16)17-6-4-3-5-7-17/h16-17H,3-13H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyRCGATBGMIQMYHI-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.73
Rot. Bonds6

About N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide

N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide (PubChem CID 56707907) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
PubChem CID56707907
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC NameN-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
SMILESCc1[nH]nc(CCC(=O)NCC2CCN(C3CCCCC3)C2)c1C
InChIInChI=1S/C19H32N4O/c1-14-15(2)21-22-18(14)8-9-19(24)20-12-16-10-11-23(13-16)17-6-4-3-5-7-17/h16-17H,3-13H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyRCGATBGMIQMYHI-UHFFFAOYSA-N
XLogP2.73
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide (CID 56707907) is N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide is Cc1[nH]nc(CCC(=O)NCC2CCN(C3CCCCC3)C2)c1C.
What is the InChIKey of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is RCGATBGMIQMYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-14-15(2)21-22-18(14)8-9-19(24)20-12-16-10-11-23(13-16)17-6-4-3-5-7-17/h16-17H,3-13H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide?
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 332.49 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 56707907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).