3-[1-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide

C23H23N5O2 — CID 134325343

IUPAC3-[1-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(C3(C(N)=O)CC3)c2)c1
InChIInChI=1S/C23H23N5O2/c1-14-2-3-15(21(29)27-18-4-5-18)8-20(14)16-10-26-28(13-16)19-9-17(11-25-12-19)23(6-7-23)22(24)30/h2-3,8-13,18H,4-7H2,1H3,(H2,24,30)(H,27,29)
InChIKeyJKJMWXXSNWDSBY-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.65
Rot. Bonds6

About 3-[1-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide

3-[1-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 134325343) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-[1-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[1-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID134325343
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name3-[1-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(C3(C(N)=O)CC3)c2)c1
InChIInChI=1S/C23H23N5O2/c1-14-2-3-15(21(29)27-18-4-5-18)8-20(14)16-10-26-28(13-16)19-9-17(11-25-12-19)23(6-7-23)22(24)30/h2-3,8-13,18H,4-7H2,1H3,(H2,24,30)(H,27,29)
InChIKeyJKJMWXXSNWDSBY-UHFFFAOYSA-N
XLogP2.65
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-methyl-3-[1-[5-[(1-pentan-3-ylpiperidin-4-yl)amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 154999645
N-cyclopropyl-4-methyl-3-[1-[5-[[1-(oxan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 134325374
N-cyclopropyl-4-methyl-3-[1-[6-(oxan-4-yl)pyrazin-2-yl]pyrazol-4-yl]benzamide
CID 134325342
N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxan-4-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
CID 134325469
N-cyclopropyl-3-[1-[5-[[1-(1,4-dioxan-2-ylmethyl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
CID 134325351
3-[1-[5-[3,3-bis(hydroxymethyl)cyclobutyl]oxy-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;N-cyclopropyl-3-[1-(5-hydroxy-3-pyridinyl)pyrazol-4-yl]-4-methylbenzamide;2-oxaspiro[3.3]heptan-6-ol
CID 161108093
3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 134328481
N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
CID 134328558
N-cyclopropyl-5-[1-[5-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
CID 134335693
N-cyclopropyl-4-methyl-3-[1-[2-(2-oxo-1-pyridinyl)-1,3-thiazol-5-yl]pyrazol-4-yl]benzamide
CID 134328556
N-cyclopropyl-3-[1-(5-methoxy-3-pyridinyl)imidazol-4-yl]-4-methylbenzamide
CID 134325490
2-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-7-methoxyimidazo[1,2-a]pyridine-6-sulfinate
CID 155015554

Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[1-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide (CID 134325343) is 3-[1-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[1-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[1-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(C3(C(N)=O)CC3)c2)c1.
What is the InChIKey of 3-[1-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is JKJMWXXSNWDSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-14-2-3-15(21(29)27-18-4-5-18)8-20(14)16-10-26-28(13-16)19-9-17(11-25-12-19)23(6-7-23)22(24)30/h2-3,8-13,18H,4-7H2,1H3,(H2,24,30)(H,27,29).
What are the key properties of 3-[1-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
3-[1-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 401.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-(1-carbamoylcyclopropyl)-3-pyridinyl]pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 134325343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).