N-[3-(4-methylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide

C24H25N5O2 — CID 19328190

IUPACN-[3-(4-methylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1cnn(CCCNC(=O)c2ccn(COc3ccc(-c4ccccc4)cc3)n2)c1
InChIInChI=1S/C24H25N5O2/c1-19-16-26-28(17-19)14-5-13-25-24(30)23-12-15-29(27-23)18-31-22-10-8-21(9-11-22)20-6-3-2-4-7-20/h2-4,6-12,15-17H,5,13-14,18H2,1H3,(H,25,30)
InChIKeyCZIROLKALAFHNK-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.91
Rot. Bonds9

About N-[3-(4-methylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide

N-[3-(4-methylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19328190) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[3-(4-methylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19328190
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[3-(4-methylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1cnn(CCCNC(=O)c2ccn(COc3ccc(-c4ccccc4)cc3)n2)c1
InChIInChI=1S/C24H25N5O2/c1-19-16-26-28(17-19)14-5-13-25-24(30)23-12-15-29(27-23)18-31-22-10-8-21(9-11-22)20-6-3-2-4-7-20/h2-4,6-12,15-17H,5,13-14,18H2,1H3,(H,25,30)
InChIKeyCZIROLKALAFHNK-UHFFFAOYSA-N
XLogP3.91
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-bromophenoxy)methyl]-N-[3-(4-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19328139
N-(3-imidazol-1-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325611
N-[3-(4-methylpyrazol-1-yl)propyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19328136
N-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273397
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273541
2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500273
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271206
N-[2-(4-hydroxyphenyl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325440
N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19283265
N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273362
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19469126
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273335

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-[3-(4-methylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide (CID 19328190) is N-[3-(4-methylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-methylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(4-methylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide is Cc1cnn(CCCNC(=O)c2ccn(COc3ccc(-c4ccccc4)cc3)n2)c1.
What is the InChIKey of N-[3-(4-methylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is CZIROLKALAFHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-19-16-26-28(17-19)14-5-13-25-24(30)23-12-15-29(27-23)18-31-22-10-8-21(9-11-22)20-6-3-2-4-7-20/h2-4,6-12,15-17H,5,13-14,18H2,1H3,(H,25,30).
What are the key properties of N-[3-(4-methylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
N-[3-(4-methylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19328190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).