N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C20H23N5O2 — CID 16672987

IUPACN-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(C2(NC(=O)c3cc(-c4cnn(C)c4)n[nH]3)CCCC2)c1
InChIInChI=1S/C20H23N5O2/c1-25-13-14(12-21-25)17-11-18(24-23-17)19(26)22-20(8-3-4-9-20)15-6-5-7-16(10-15)27-2/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyRMBUZYNPEVFPEI-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.02
Rot. Bonds5

About N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 16672987) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID16672987
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(C2(NC(=O)c3cc(-c4cnn(C)c4)n[nH]3)CCCC2)c1
InChIInChI=1S/C20H23N5O2/c1-25-13-14(12-21-25)17-11-18(24-23-17)19(26)22-20(8-3-4-9-20)15-6-5-7-16(10-15)27-2/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyRMBUZYNPEVFPEI-UHFFFAOYSA-N
XLogP3.02
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 16672987) is N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is COc1cccc(C2(NC(=O)c3cc(-c4cnn(C)c4)n[nH]3)CCCC2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is RMBUZYNPEVFPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-25-13-14(12-21-25)17-11-18(24-23-17)19(26)22-20(8-3-4-9-20)15-6-5-7-16(10-15)27-2/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 16672987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).