N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C19H20ClN5O — CID 46975017

IUPACN-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)NCC2(c3ccccc3Cl)CC2)[nH]n1
InChIInChI=1S/C19H20ClN5O/c1-12-13(10-25(2)24-12)16-9-17(23-22-16)18(26)21-11-19(7-8-19)14-5-3-4-6-15(14)20/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyXDGAXAQTDDUWJQ-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.23
Rot. Bonds5

About N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 46975017) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID46975017
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC NameN-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)NCC2(c3ccccc3Cl)CC2)[nH]n1
InChIInChI=1S/C19H20ClN5O/c1-12-13(10-25(2)24-12)16-9-17(23-22-16)18(26)21-11-19(7-8-19)14-5-3-4-6-15(14)20/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyXDGAXAQTDDUWJQ-UHFFFAOYSA-N
XLogP3.23
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 46975017) is N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1nn(C)cc1-c1cc(C(=O)NCC2(c3ccccc3Cl)CC2)[nH]n1.
What is the InChIKey of N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is XDGAXAQTDDUWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-12-13(10-25(2)24-12)16-9-17(23-22-16)18(26)21-11-19(7-8-19)14-5-3-4-6-15(14)20/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,26)(H,22,23).
What are the key properties of N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 369.86 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46975017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).