1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride

C15H17Cl3N4O — CID 119514691

IUPAC1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)c1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H16Cl2N4O.ClH/c16-11-3-4-14(13(17)6-11)21-9-10(7-20-21)15(22)19-8-12-2-1-5-18-12;/h3-4,6-7,9,12,18H,1-2,5,8H2,(H,19,22);1H
InChIKeySXGDOPYPORUVQT-UHFFFAOYSA-N
MW375.69 g/mol
LogP3.08
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride

1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119514691) has the molecular formula C15H17Cl3N4O and a molecular weight of 375.69 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119514691
Molecular FormulaC15H17Cl3N4O
Molecular Weight375.69 g/mol
Exact Mass374.05
IUPAC Name1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)c1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H16Cl2N4O.ClH/c16-11-3-4-14(13(17)6-11)21-9-10(7-20-21)15(22)19-8-12-2-1-5-18-12;/h3-4,6-7,9,12,18H,1-2,5,8H2,(H,19,22);1H
InChIKeySXGDOPYPORUVQT-UHFFFAOYSA-N
XLogP3.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.69
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride
CID 120947316
1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119559418
1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119513926
1-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119510837
N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
CID 119630624
5-chloro-N-(pyrrolidin-2-ylmethyl)-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119509965
1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119511592
1-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119510024
5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 119234355
2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509719
1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide
CID 167952862
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119514667

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride (CID 119514691) is 1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride is Cl.O=C(NCC1CCCN1)c1cnn(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is SXGDOPYPORUVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O.ClH/c16-11-3-4-14(13(17)6-11)21-9-10(7-20-21)15(22)19-8-12-2-1-5-18-12;/h3-4,6-7,9,12,18H,1-2,5,8H2,(H,19,22);1H.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 375.69 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119514691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).