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

C19H25N5O — CID 37043755

IUPAC5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cc(C4CC4)[nH]n3)cc2)CC1
InChIInChI=1S/C19H25N5O/c1-2-23-9-11-24(12-10-23)16-7-5-15(6-8-16)20-19(25)18-13-17(21-22-18)14-3-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H,20,25)(H,21,22)
InChIKeyVAONUUBOEXAOQF-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.68
Rot. Bonds5

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

5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide (PubChem CID 37043755) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide
PubChem CID37043755
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3cc(C4CC4)[nH]n3)cc2)CC1
InChIInChI=1S/C19H25N5O/c1-2-23-9-11-24(12-10-23)16-7-5-15(6-8-16)20-19(25)18-13-17(21-22-18)14-3-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H,20,25)(H,21,22)
InChIKeyVAONUUBOEXAOQF-UHFFFAOYSA-N
XLogP2.68
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-N-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-1H-pyrazole-3-carboxamide
CID 95621160
3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541340
ethyl (E)-3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoate
CID 39191562
5-cyclopropyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 91889053
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186830
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 58692597
N-[4-(diethylamino)phenyl]-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186876
5-cyclopropyl-N-[4-(3-methylphenoxy)phenyl]-1H-pyrazole-3-carboxamide
CID 46582218
5-cyclopropyl-N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
CID 94775965
5-tert-butyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide
CID 78887587
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
CID 71762286

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide (CID 37043755) is 5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide is CCN1CCN(c2ccc(NC(=O)c3cc(C4CC4)[nH]n3)cc2)CC1.
What is the InChIKey of 5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide?
The InChIKey is VAONUUBOEXAOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-23-9-11-24(12-10-23)16-7-5-15(6-8-16)20-19(25)18-13-17(21-22-18)14-3-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H,20,25)(H,21,22).
What are the key properties of 5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 37043755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).