1-(3-methylphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide

C20H20N4O — CID 56818493

IUPAC1-(3-methylphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NCc3ccc(-n4cccn4)nc3)CC2)c1
InChIInChI=1S/C20H20N4O/c1-15-4-2-5-17(12-15)20(8-9-20)19(25)22-14-16-6-7-18(21-13-16)24-11-3-10-23-24/h2-7,10-13H,8-9,14H2,1H3,(H,22,25)
InChIKeyAIBMADWTBFGQPU-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.92
Rot. Bonds5

About 1-(3-methylphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide

1-(3-methylphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide (PubChem CID 56818493) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
PubChem CID56818493
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name1-(3-methylphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NCc3ccc(-n4cccn4)nc3)CC2)c1
InChIInChI=1S/C20H20N4O/c1-15-4-2-5-17(12-15)20(8-9-20)19(25)22-14-16-6-7-18(21-13-16)24-11-3-10-23-24/h2-7,10-13H,8-9,14H2,1H3,(H,22,25)
InChIKeyAIBMADWTBFGQPU-UHFFFAOYSA-N
XLogP2.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide
CID 56818547
1-(3-bromophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 75414500
2,2-dimethyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 167866687
(2R)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349453
(2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349454
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopentanecarboxamide
CID 25343497
tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
CID 134193569
2,5-dichloro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 51112319
4-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 146886841
(3R,4S)-3-hydroxy-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 134192967
5-cyclopropyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
CID 75264160
2-[3-[[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]methyl]phenoxy]acetic acid
CID 119246489

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide (CID 56818493) is 1-(3-methylphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide is Cc1cccc(C2(C(=O)NCc3ccc(-n4cccn4)nc3)CC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is AIBMADWTBFGQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-4-2-5-17(12-15)20(8-9-20)19(25)22-14-16-6-7-18(21-13-16)24-11-3-10-23-24/h2-7,10-13H,8-9,14H2,1H3,(H,22,25).
What are the key properties of 1-(3-methylphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
1-(3-methylphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 56818493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).