N-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide

C18H21N5O — CID 70746658

IUPACN-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide
SMILESCC(CC(=O)N(C)Cc1ccc(-n2cccn2)cc1)n1cccn1
InChIInChI=1S/C18H21N5O/c1-15(22-11-3-9-19-22)13-18(24)21(2)14-16-5-7-17(8-6-16)23-12-4-10-20-23/h3-12,15H,13-14H2,1-2H3
InChIKeyPITLCPVDYKQPHZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.68
Rot. Bonds6

About N-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide

N-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide (PubChem CID 70746658) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide.

Molecular Properties

Compound NameN-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide
PubChem CID70746658
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide
SMILESCC(CC(=O)N(C)Cc1ccc(-n2cccn2)cc1)n1cccn1
InChIInChI=1S/C18H21N5O/c1-15(22-11-3-9-19-22)13-18(24)21(2)14-16-5-7-17(8-6-16)23-12-4-10-20-23/h3-12,15H,13-14H2,1-2H3
InChIKeyPITLCPVDYKQPHZ-UHFFFAOYSA-N
XLogP2.68
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-hydroxy-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride
CID 154894262
2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 70786327
2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 62820545
N-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
CID 46485261
3-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 131907822
1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 19477921
4-(2-hydroxyethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56896332
N,7-dimethyl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-2-carboxamide
CID 70777675
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 70711180
N-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 70714246
N-methyl-3-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-1-amine
CID 56915637
N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56882809

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide?
The IUPAC name of N-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide (CID 70746658) is N-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide.
What is the SMILES notation for N-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide?
The canonical SMILES for N-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide is CC(CC(=O)N(C)Cc1ccc(-n2cccn2)cc1)n1cccn1.
What is the InChIKey of N-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide?
The InChIKey is PITLCPVDYKQPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-15(22-11-3-9-19-22)13-18(24)21(2)14-16-5-7-17(8-6-16)23-12-4-10-20-23/h3-12,15H,13-14H2,1-2H3.
What are the key properties of N-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide?
N-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide has a molecular weight of 323.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide is sourced from PubChem (CID 70746658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).