5-cyclopropyl-N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-1H-pyrazole-4-carboxamide

C18H24N4O — CID 100695175

IUPAC5-cyclopropyl-N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-1H-pyrazole-4-carboxamide
SMILESC[C@H](Cc1ccc(N(C)C)cc1)NC(=O)c1cn[nH]c1C1CC1
InChIInChI=1S/C18H24N4O/c1-12(10-13-4-8-15(9-5-13)22(2)3)20-18(23)16-11-19-21-17(16)14-6-7-14/h4-5,8-9,11-12,14H,6-7,10H2,1-3H3,(H,19,21)(H,20,23)/t12-/m1/s1
InChIKeyHOAXRTRGLIRSNV-GFCCVEGCSA-N
MW312.42 g/mol
LogP2.71
Rot. Bonds6

About 5-cyclopropyl-N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-1H-pyrazole-4-carboxamide

5-cyclopropyl-N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 100695175) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID100695175
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-cyclopropyl-N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-1H-pyrazole-4-carboxamide
SMILESC[C@H](Cc1ccc(N(C)C)cc1)NC(=O)c1cn[nH]c1C1CC1
InChIInChI=1S/C18H24N4O/c1-12(10-13-4-8-15(9-5-13)22(2)3)20-18(23)16-11-19-21-17(16)14-6-7-14/h4-5,8-9,11-12,14H,6-7,10H2,1-3H3,(H,19,21)(H,20,23)/t12-/m1/s1
InChIKeyHOAXRTRGLIRSNV-GFCCVEGCSA-N
XLogP2.71
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

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N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide
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N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide
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1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea
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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-1H-pyrazole-4-carboxamide (CID 100695175) is 5-cyclopropyl-N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-1H-pyrazole-4-carboxamide is C[C@H](Cc1ccc(N(C)C)cc1)NC(=O)c1cn[nH]c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is HOAXRTRGLIRSNV-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(10-13-4-8-15(9-5-13)22(2)3)20-18(23)16-11-19-21-17(16)14-6-7-14/h4-5,8-9,11-12,14H,6-7,10H2,1-3H3,(H,19,21)(H,20,23)/t12-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-1H-pyrazole-4-carboxamide?
5-cyclopropyl-N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 100695175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).