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

C21H25N5O — CID 154822775

IUPACN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide
SMILESCc1cc(C)n(CC2(CNC(=O)c3c(-c4ccccc4)n[nH]c3C)CC2)n1
InChIInChI=1S/C21H25N5O/c1-14-11-15(2)26(25-14)13-21(9-10-21)12-22-20(27)18-16(3)23-24-19(18)17-7-5-4-6-8-17/h4-8,11H,9-10,12-13H2,1-3H3,(H,22,27)(H,23,24)
InChIKeyJJRPUJOKHPBIFT-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.41
Rot. Bonds6

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

N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 154822775) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide
PubChem CID154822775
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide
SMILESCc1cc(C)n(CC2(CNC(=O)c3c(-c4ccccc4)n[nH]c3C)CC2)n1
InChIInChI=1S/C21H25N5O/c1-14-11-15(2)26(25-14)13-21(9-10-21)12-22-20(27)18-16(3)23-24-19(18)17-7-5-4-6-8-17/h4-8,11H,9-10,12-13H2,1-3H3,(H,22,27)(H,23,24)
InChIKeyJJRPUJOKHPBIFT-UHFFFAOYSA-N
XLogP3.41
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide (CID 154822775) is N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide is Cc1cc(C)n(CC2(CNC(=O)c3c(-c4ccccc4)n[nH]c3C)CC2)n1.
What is the InChIKey of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is JJRPUJOKHPBIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14-11-15(2)26(25-14)13-21(9-10-21)12-22-20(27)18-16(3)23-24-19(18)17-7-5-4-6-8-17/h4-8,11H,9-10,12-13H2,1-3H3,(H,22,27)(H,23,24).
What are the key properties of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide?
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 154822775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).