N-(3-aminocyclobutyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride

C12H21ClN4O — CID 175943351

IUPACN-(3-aminocyclobutyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)(C)c1cc(C(=O)NC2CC(N)C2)n[nH]1.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-12(2,3)10-6-9(15-16-10)11(17)14-8-4-7(13)5-8;/h6-8H,4-5,13H2,1-3H3,(H,14,17)(H,15,16);1H
InChIKeyNOZCOSSAJMABAY-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.35
Rot. Bonds2

About N-(3-aminocyclobutyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride

N-(3-aminocyclobutyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 175943351) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID175943351
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC NameN-(3-aminocyclobutyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)(C)c1cc(C(=O)NC2CC(N)C2)n[nH]1.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-12(2,3)10-6-9(15-16-10)11(17)14-8-4-7(13)5-8;/h6-8H,4-5,13H2,1-3H3,(H,14,17)(H,15,16);1H
InChIKeyNOZCOSSAJMABAY-UHFFFAOYSA-N
XLogP1.35
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-cyclopropylpropanoic acid
CID 75516537
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
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2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]acetic acid
CID 110835219
5-tert-butyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119463796
N-(2-aminopropyl)-5-tert-butyl-1H-pyrazole-3-carboxamide
CID 110833128
N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide
CID 126857183
5-tert-butyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide
CID 110848079
N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide
CID 47109350
(2S)-2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-3-methylbutanoic acid
CID 110835220
5-tert-butyl-3-prop-1-en-2-yl-1H-pyrazole
CID 118259104

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminocyclobutyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride (CID 175943351) is N-(3-aminocyclobutyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminocyclobutyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminocyclobutyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride is CC(C)(C)c1cc(C(=O)NC2CC(N)C2)n[nH]1.Cl.
What is the InChIKey of N-(3-aminocyclobutyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is NOZCOSSAJMABAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.ClH/c1-12(2,3)10-6-9(15-16-10)11(17)14-8-4-7(13)5-8;/h6-8H,4-5,13H2,1-3H3,(H,14,17)(H,15,16);1H.
What are the key properties of N-(3-aminocyclobutyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride?
N-(3-aminocyclobutyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 175943351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).