N-methyl-2-pyrazol-1-yl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide

C18H21N5O — CID 72923212

IUPACN-methyl-2-pyrazol-1-yl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
SMILESCCC(C(=O)N(C)Cc1ccccc1-n1cccn1)n1cccn1
InChIInChI=1S/C18H21N5O/c1-3-16(22-12-6-10-19-22)18(24)21(2)14-15-8-4-5-9-17(15)23-13-7-11-20-23/h4-13,16H,3,14H2,1-2H3
InChIKeyZIMCDPXBYSBWHD-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.68
Rot. Bonds6

About N-methyl-2-pyrazol-1-yl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide

N-methyl-2-pyrazol-1-yl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide (PubChem CID 72923212) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-methyl-2-pyrazol-1-yl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide.

Molecular Properties

Compound NameN-methyl-2-pyrazol-1-yl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
PubChem CID72923212
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-methyl-2-pyrazol-1-yl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
SMILESCCC(C(=O)N(C)Cc1ccccc1-n1cccn1)n1cccn1
InChIInChI=1S/C18H21N5O/c1-3-16(22-12-6-10-19-22)18(24)21(2)14-15-8-4-5-9-17(15)23-13-7-11-20-23/h4-13,16H,3,14H2,1-2H3
InChIKeyZIMCDPXBYSBWHD-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

(2R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide
CID 125169618
N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]hydroxylamine
CID 82608522
(2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-pyrazol-1-ylbutanamide
CID 97122893
6-amino-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 91793396
(2S)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 97153527
1-methyl-1-[(2S)-2-methylbutyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
CID 97212409
(2R)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 97143739
(2R)-N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-pyrazol-1-ylbutanamide
CID 95223312
(2R)-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]oxolane-2-carboxamide
CID 56755678
(2R)-3-[methyl-[(2-pyrazol-1-ylphenyl)methyl]amino]propane-1,2-diol
CID 95141112
N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide
CID 91764030
2-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 62854534

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrazol-1-yl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide?
The IUPAC name of N-methyl-2-pyrazol-1-yl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide (CID 72923212) is N-methyl-2-pyrazol-1-yl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide.
What is the SMILES notation for N-methyl-2-pyrazol-1-yl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide?
The canonical SMILES for N-methyl-2-pyrazol-1-yl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide is CCC(C(=O)N(C)Cc1ccccc1-n1cccn1)n1cccn1.
What is the InChIKey of N-methyl-2-pyrazol-1-yl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide?
The InChIKey is ZIMCDPXBYSBWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-16(22-12-6-10-19-22)18(24)21(2)14-15-8-4-5-9-17(15)23-13-7-11-20-23/h4-13,16H,3,14H2,1-2H3.
What are the key properties of N-methyl-2-pyrazol-1-yl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide?
N-methyl-2-pyrazol-1-yl-N-[(2-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-2-pyrazol-1-yl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide is sourced from PubChem (CID 72923212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).