5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride

C12H19ClN4O — CID 119510443

IUPAC5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C12H18N4O.ClH/c17-12(14-7-9-2-1-5-13-9)11-6-10(15-16-11)8-3-4-8;/h6,8-9,13H,1-5,7H2,(H,14,17)(H,15,16);1H
InChIKeyCVYQQBOUMSABHK-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.19
Rot. Bonds4

About 5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride

5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 119510443) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID119510443
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C12H18N4O.ClH/c17-12(14-7-9-2-1-5-13-9)11-6-10(15-16-11)8-3-4-8;/h6,8-9,13H,1-5,7H2,(H,14,17)(H,15,16);1H
InChIKeyCVYQQBOUMSABHK-UHFFFAOYSA-N
XLogP1.19
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 112708128
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CID 119500515
6-oxo-N-(piperidin-2-ylmethyl)-1H-pyridazine-3-carboxamide
CID 103805977
5-cyclopropyl-N-[3-(methylamino)propyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119430091
N-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119495448
N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-3-carboxamide
CID 83619395
3-amino-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide;dihydrochloride
CID 119509819
1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119511635
2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
CID 119511849
5-cyclopropyl-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide
CID 119391192
N-(2-adamantyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 19590906
5-cyclopropyl-N-(2-phenylpropyl)-1H-pyrazole-3-carboxamide
CID 20918125

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride (CID 119510443) is 5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride is Cl.O=C(NCC1CCCN1)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is CVYQQBOUMSABHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.ClH/c17-12(14-7-9-2-1-5-13-9)11-6-10(15-16-11)8-3-4-8;/h6,8-9,13H,1-5,7H2,(H,14,17)(H,15,16);1H.
What are the key properties of 5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride?
5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119510443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).