3-amino-4-chloro-N-[3-(dimethylamino)-1-phenylpropyl]-1H-pyrazole-5-carboxamide

C15H20ClN5O — CID 122565739

IUPAC3-amino-4-chloro-N-[3-(dimethylamino)-1-phenylpropyl]-1H-pyrazole-5-carboxamide
SMILESCN(C)CCC(NC(=O)c1[nH]nc(N)c1Cl)c1ccccc1
InChIInChI=1S/C15H20ClN5O/c1-21(2)9-8-11(10-6-4-3-5-7-10)18-15(22)13-12(16)14(17)20-19-13/h3-7,11H,8-9H2,1-2H3,(H,18,22)(H3,17,19,20)
InChIKeyBKIYRDUBNOZPQN-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.07
Rot. Bonds6

About 3-amino-4-chloro-N-[3-(dimethylamino)-1-phenylpropyl]-1H-pyrazole-5-carboxamide

3-amino-4-chloro-N-[3-(dimethylamino)-1-phenylpropyl]-1H-pyrazole-5-carboxamide (PubChem CID 122565739) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[3-(dimethylamino)-1-phenylpropyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[3-(dimethylamino)-1-phenylpropyl]-1H-pyrazole-5-carboxamide
PubChem CID122565739
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name3-amino-4-chloro-N-[3-(dimethylamino)-1-phenylpropyl]-1H-pyrazole-5-carboxamide
SMILESCN(C)CCC(NC(=O)c1[nH]nc(N)c1Cl)c1ccccc1
InChIInChI=1S/C15H20ClN5O/c1-21(2)9-8-11(10-6-4-3-5-7-10)18-15(22)13-12(16)14(17)20-19-13/h3-7,11H,8-9H2,1-2H3,(H,18,22)(H3,17,19,20)
InChIKeyBKIYRDUBNOZPQN-UHFFFAOYSA-N
XLogP2.07
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)-1-phenylpropyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 122558966
N-[7-(dimethylamino)-1-phenylheptyl]benzamide
CID 3027100
N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide
CID 125173754
3-amino-4-chloro-N-[2-(dimethylamino)-3-methylbutyl]-1H-pyrazole-5-carboxamide
CID 122565349
N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide
CID 126437941
N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylbenzamide
CID 24953415
N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 24954832
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 110278637
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-methoxybenzamide
CID 110278628
N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 118796171
N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide
CID 70742212
3-amino-4-chloro-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1H-pyrazole-5-carboxamide
CID 77093097

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[3-(dimethylamino)-1-phenylpropyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-4-chloro-N-[3-(dimethylamino)-1-phenylpropyl]-1H-pyrazole-5-carboxamide (CID 122565739) is 3-amino-4-chloro-N-[3-(dimethylamino)-1-phenylpropyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-4-chloro-N-[3-(dimethylamino)-1-phenylpropyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-4-chloro-N-[3-(dimethylamino)-1-phenylpropyl]-1H-pyrazole-5-carboxamide is CN(C)CCC(NC(=O)c1[nH]nc(N)c1Cl)c1ccccc1.
What is the InChIKey of 3-amino-4-chloro-N-[3-(dimethylamino)-1-phenylpropyl]-1H-pyrazole-5-carboxamide?
The InChIKey is BKIYRDUBNOZPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-21(2)9-8-11(10-6-4-3-5-7-10)18-15(22)13-12(16)14(17)20-19-13/h3-7,11H,8-9H2,1-2H3,(H,18,22)(H3,17,19,20).
What are the key properties of 3-amino-4-chloro-N-[3-(dimethylamino)-1-phenylpropyl]-1H-pyrazole-5-carboxamide?
3-amino-4-chloro-N-[3-(dimethylamino)-1-phenylpropyl]-1H-pyrazole-5-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-[3-(dimethylamino)-1-phenylpropyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 122565739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).