1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide

C19H29N5O — CID 42759487

IUPAC1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
SMILESCC1CCCCN1CCCNC(=O)c1cc(-c2cccn2C)nn1C
InChIInChI=1S/C19H29N5O/c1-15-8-4-5-12-24(15)13-7-10-20-19(25)18-14-16(21-23(18)3)17-9-6-11-22(17)2/h6,9,11,14-15H,4-5,7-8,10,12-13H2,1-3H3,(H,20,25)
InChIKeyPGHUAGDXIBDMLX-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.42
Rot. Bonds6

About 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide

1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide (PubChem CID 42759487) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
PubChem CID42759487
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
SMILESCC1CCCCN1CCCNC(=O)c1cc(-c2cccn2C)nn1C
InChIInChI=1S/C19H29N5O/c1-15-8-4-5-12-24(15)13-7-10-20-19(25)18-14-16(21-23(18)3)17-9-6-11-22(17)2/h6,9,11,14-15H,4-5,7-8,10,12-13H2,1-3H3,(H,20,25)
InChIKeyPGHUAGDXIBDMLX-UHFFFAOYSA-N
XLogP2.42
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-4-pyrazol-1-ylbenzamide
CID 9473184
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-1H-pyrazole-5-carboxamide
CID 95281410
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
CID 42755478
3-(4-methoxyphenyl)-1-(3-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
CID 3921489
1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
CID 3514821
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 104740859
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 43080560

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide (CID 42759487) is 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide is CC1CCCCN1CCCNC(=O)c1cc(-c2cccn2C)nn1C.
What is the InChIKey of 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
The InChIKey is PGHUAGDXIBDMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-15-8-4-5-12-24(15)13-7-10-20-19(25)18-14-16(21-23(18)3)17-9-6-11-22(17)2/h6,9,11,14-15H,4-5,7-8,10,12-13H2,1-3H3,(H,20,25).
What are the key properties of 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide?
1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 42759487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).