N-[3-(cyclopropylmethoxy)propyl]-1-phenylpyrazole-4-carboxamide

C17H21N3O2 — CID 18120950

IUPACN-[3-(cyclopropylmethoxy)propyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCCCOCC1CC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H21N3O2/c21-17(18-9-4-10-22-13-14-7-8-14)15-11-19-20(12-15)16-5-2-1-3-6-16/h1-3,5-6,11-12,14H,4,7-10,13H2,(H,18,21)
InChIKeyFSAIRUPDASYKJO-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.42
Rot. Bonds8

About N-[3-(cyclopropylmethoxy)propyl]-1-phenylpyrazole-4-carboxamide

N-[3-(cyclopropylmethoxy)propyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 18120950) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-1-phenylpyrazole-4-carboxamide
PubChem CID18120950
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCCCOCC1CC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H21N3O2/c21-17(18-9-4-10-22-13-14-7-8-14)15-11-19-20(12-15)16-5-2-1-3-6-16/h1-3,5-6,11-12,14H,4,7-10,13H2,(H,18,21)
InChIKeyFSAIRUPDASYKJO-UHFFFAOYSA-N
XLogP2.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide
CID 55792306
1-[(2-chlorophenyl)methyl]-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide
CID 18132255
1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide
CID 50772943
N-(4-bromopentyl)-1-phenylpyrazole-4-carboxamide
CID 106131314
N-[3-(cyclopropylmethoxy)propyl]-3-(tetrazol-1-yl)benzamide
CID 51222719
N-(3-amino-3-sulfanylidenepropyl)-1-phenylpyrazole-4-carboxamide
CID 55101990
1-phenyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-carboxamide
CID 114793561
1-benzyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide
CID 86909424
3-cyclopropyl-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 105107919
1-(2-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]pyrazole-4-carboxamide
CID 110022361
N-(3-amino-3-hydroxyiminopropyl)-1-phenylpyrazole-4-carboxamide
CID 76948217
N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 50772841

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-1-phenylpyrazole-4-carboxamide (CID 18120950) is N-[3-(cyclopropylmethoxy)propyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-1-phenylpyrazole-4-carboxamide is O=C(NCCCOCC1CC1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is FSAIRUPDASYKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-17(18-9-4-10-22-13-14-7-8-14)15-11-19-20(12-15)16-5-2-1-3-6-16/h1-3,5-6,11-12,14H,4,7-10,13H2,(H,18,21).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-1-phenylpyrazole-4-carboxamide?
N-[3-(cyclopropylmethoxy)propyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 18120950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).