N-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide

C20H26N4O2 — CID 126791869

IUPACN-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)N(CC2CCCN2)C2CC2)n1
InChIInChI=1S/C20H26N4O2/c1-14-5-8-19(26-2)18(12-14)24-11-9-17(22-24)20(25)23(16-6-7-16)13-15-4-3-10-21-15/h5,8-9,11-12,15-16,21H,3-4,6-7,10,13H2,1-2H3
InChIKeyLIDNSVZXVMXZFU-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.55
Rot. Bonds6

About N-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide

N-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 126791869) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID126791869
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)N(CC2CCCN2)C2CC2)n1
InChIInChI=1S/C20H26N4O2/c1-14-5-8-19(26-2)18(12-14)24-11-9-17(22-24)20(25)23(16-6-7-16)13-15-4-3-10-21-15/h5,8-9,11-12,15-16,21H,3-4,6-7,10,13H2,1-2H3
InChIKeyLIDNSVZXVMXZFU-UHFFFAOYSA-N
XLogP2.55
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide (CID 126791869) is N-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide is COc1ccc(C)cc1-n1ccc(C(=O)N(CC2CCCN2)C2CC2)n1.
What is the InChIKey of N-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is LIDNSVZXVMXZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-5-8-19(26-2)18(12-14)24-11-9-17(22-24)20(25)23(16-6-7-16)13-15-4-3-10-21-15/h5,8-9,11-12,15-16,21H,3-4,6-7,10,13H2,1-2H3.
What are the key properties of N-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide?
N-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 126791869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).