N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-phenyl-1H-pyrazole-4-carboxamide

C19H21N5O — CID 72882328

IUPACN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(NCCCn1nccc1C1CC1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C19H21N5O/c25-19(16-13-21-23-18(16)15-5-2-1-3-6-15)20-10-4-12-24-17(9-11-22-24)14-7-8-14/h1-3,5-6,9,11,13-14H,4,7-8,10,12H2,(H,20,25)(H,21,23)
InChIKeyCWLSZTNUMZUEAD-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.97
Rot. Bonds7

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

N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 72882328) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID72882328
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(NCCCn1nccc1C1CC1)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C19H21N5O/c25-19(16-13-21-23-18(16)15-5-2-1-3-6-15)20-10-4-12-24-17(9-11-22-24)14-7-8-14/h1-3,5-6,9,11,13-14H,4,7-8,10,12H2,(H,20,25)(H,21,23)
InChIKeyCWLSZTNUMZUEAD-UHFFFAOYSA-N
XLogP2.97
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide
CID 56913832
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670
5-phenyl-N-(3-pyridin-2-ylpropyl)-1H-pyrazole-4-carboxamide
CID 72935188
N-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 72913584
methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 60712516
N-[2-(1H-imidazol-2-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 115620205
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide
CID 97195958
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 118785041
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 71879874
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 118782202
N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 146131304
N-[4-(4-chloroanilino)-4-oxobutyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 55944958

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 72882328) is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-phenyl-1H-pyrazole-4-carboxamide is O=C(NCCCn1nccc1C1CC1)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is CWLSZTNUMZUEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c25-19(16-13-21-23-18(16)15-5-2-1-3-6-15)20-10-4-12-24-17(9-11-22-24)14-7-8-14/h1-3,5-6,9,11,13-14H,4,7-8,10,12H2,(H,20,25)(H,21,23).
What are the key properties of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 72882328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).