N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride

C12H20ClN5O2 — CID 119314338

IUPACN-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCN(C)C(=O)Cn1ccc(NC(=O)C2CCCN2)n1.Cl
InChIInChI=1S/C12H19N5O2.ClH/c1-16(2)11(18)8-17-7-5-10(15-17)14-12(19)9-4-3-6-13-9;/h5,7,9,13H,3-4,6,8H2,1-2H3,(H,14,15,19);1H
InChIKeyDVMBNMDHIFEVQQ-UHFFFAOYSA-N
MW301.78 g/mol
LogP0.08
Rot. Bonds4

About N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride

N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119314338) has the molecular formula C12H20ClN5O2 and a molecular weight of 301.78 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119314338
Molecular FormulaC12H20ClN5O2
Molecular Weight301.78 g/mol
Exact Mass301.13
IUPAC NameN-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCN(C)C(=O)Cn1ccc(NC(=O)C2CCCN2)n1.Cl
InChIInChI=1S/C12H19N5O2.ClH/c1-16(2)11(18)8-17-7-5-10(15-17)14-12(19)9-4-3-6-13-9;/h5,7,9,13H,3-4,6,8H2,1-2H3,(H,14,15,19);1H
InChIKeyDVMBNMDHIFEVQQ-UHFFFAOYSA-N
XLogP0.08
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methoxyethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314318
(2R)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]piperidine-2-carboxamide;dihydrochloride
CID 119871304
(2R)-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 103813190
(2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 61163094
(2S)-N-(6-acetamido-2-pyridinyl)pyrrolidine-2-carboxamide
CID 102178535
(2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
CID 24749623
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119879391
N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119283612
(2R)-N-[4-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 103813174
N-(1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 62902343
N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119298239
(2S)-N-(1-ethylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119292192

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride (CID 119314338) is N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride is CN(C)C(=O)Cn1ccc(NC(=O)C2CCCN2)n1.Cl.
What is the InChIKey of N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is DVMBNMDHIFEVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2.ClH/c1-16(2)11(18)8-17-7-5-10(15-17)14-12(19)9-4-3-6-13-9;/h5,7,9,13H,3-4,6,8H2,1-2H3,(H,14,15,19);1H.
What are the key properties of N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride?
N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 301.78 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119314338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).