1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride

C15H17Cl3N4O2 — CID 120947316

IUPAC1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H16Cl2N4O2.ClH/c16-11-1-2-13(12(17)3-11)21-8-10(6-20-21)15(23)19-5-9-4-18-7-14(9)22;/h1-3,6,8-9,14,18,22H,4-5,7H2,(H,19,23);1H
InChIKeyBRDDHNREIVNMAT-UHFFFAOYSA-N
MW391.69 g/mol
LogP1.91
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride

1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride (PubChem CID 120947316) has the molecular formula C15H17Cl3N4O2 and a molecular weight of 391.69 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride
PubChem CID120947316
Molecular FormulaC15H17Cl3N4O2
Molecular Weight391.69 g/mol
Exact Mass390.04
IUPAC Name1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1cnn(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H16Cl2N4O2.ClH/c16-11-1-2-13(12(17)3-11)21-8-10(6-20-21)15(23)19-5-9-4-18-7-14(9)22;/h1-3,6,8-9,14,18,22H,4-5,7H2,(H,19,23);1H
InChIKeyBRDDHNREIVNMAT-UHFFFAOYSA-N
XLogP1.91
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.69
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119514691
1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119559418
N-(2-amino-2-methylpropyl)-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
CID 119630624
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-pyridin-3-ylpyrazole-4-carboxamide
CID 120945565
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(2,4-dichlorophenyl)pyrazol-4-yl]methanone
CID 120659511
5-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 119234355
1-(2,4-dichlorophenyl)-N-[3-(ethylamino)propyl]pyrazole-4-carboxamide
CID 167952862
4-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-iodobenzamide;hydrochloride
CID 120945283
4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120945409
1-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119554673
1-(2,4-dichlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 119826298
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodobenzamide;hydrochloride
CID 120946362

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride (CID 120947316) is 1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride is Cl.O=C(NCC1CNCC1O)c1cnn(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride?
The InChIKey is BRDDHNREIVNMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O2.ClH/c16-11-1-2-13(12(17)3-11)21-8-10(6-20-21)15(23)19-5-9-4-18-7-14(9)22;/h1-3,6,8-9,14,18,22H,4-5,7H2,(H,19,23);1H.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride?
1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride has a molecular weight of 391.69 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120947316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).