1-tert-butyl-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride

C13H23ClN4O — CID 119550148

IUPAC1-tert-butyl-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
SMILESCN(C(=O)c1cnn(C(C)(C)C)c1)C1CCNC1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-13(2,3)17-9-10(7-15-17)12(18)16(4)11-5-6-14-8-11;/h7,9,11,14H,5-6,8H2,1-4H3;1H
InChIKeyOZORBADIGCLTEO-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.49
Rot. Bonds2

About 1-tert-butyl-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride

1-tert-butyl-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119550148) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is 1-tert-butyl-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-tert-butyl-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID119550148
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name1-tert-butyl-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
SMILESCN(C(=O)c1cnn(C(C)(C)C)c1)C1CCNC1.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-13(2,3)17-9-10(7-15-17)12(18)16(4)11-5-6-14-8-11;/h7,9,11,14H,5-6,8H2,1-4H3;1H
InChIKeyOZORBADIGCLTEO-UHFFFAOYSA-N
XLogP1.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(2-methylphenyl)-N-[(3R)-pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 125134433
N-methyl-1-(2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 125134432
N,2-dimethyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride
CID 119552387
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
1-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119554673
N,3,5-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551819
N-methyl-6-pyrrolidin-1-yl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119550921
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 21034256
4-acetamido-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119549858
2-[(1-tert-butylpyrazole-4-carbonyl)-cyclopropylamino]acetic acid
CID 119194565
4-(cyclopropanecarbonylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554246

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-tert-butyl-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride (CID 119550148) is 1-tert-butyl-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-tert-butyl-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-tert-butyl-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride is CN(C(=O)c1cnn(C(C)(C)C)c1)C1CCNC1.Cl.
What is the InChIKey of 1-tert-butyl-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is OZORBADIGCLTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.ClH/c1-13(2,3)17-9-10(7-15-17)12(18)16(4)11-5-6-14-8-11;/h7,9,11,14H,5-6,8H2,1-4H3;1H.
What are the key properties of 1-tert-butyl-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride?
1-tert-butyl-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119550148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).