N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-pyrazole-5-carboxamide

C10H15N3O2 — CID 114630425

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-pyrazole-5-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1ccn[nH]1
InChIInChI=1S/C10H15N3O2/c1-10(2)7(5-8(10)14)12-9(15)6-3-4-11-13-6/h3-4,7-8,14H,5H2,1-2H3,(H,11,13)(H,12,15)
InChIKeyLYYUMIYFZLFSBU-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.30
Rot. Bonds2

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-pyrazole-5-carboxamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-pyrazole-5-carboxamide (PubChem CID 114630425) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-pyrazole-5-carboxamide
PubChem CID114630425
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-pyrazole-5-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1ccn[nH]1
InChIInChI=1S/C10H15N3O2/c1-10(2)7(5-8(10)14)12-9(15)6-3-4-11-13-6/h3-4,7-8,14H,5H2,1-2H3,(H,11,13)(H,12,15)
InChIKeyLYYUMIYFZLFSBU-UHFFFAOYSA-N
XLogP0.30
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 114630661
3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 107519435
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-indazole-3-carboxamide
CID 114631317
N-(azetidin-3-yl)-1H-pyrazole-5-carboxamide
CID 66187687
6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629337
2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629328
N-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide
CID 114631332
2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoyl]pyridine-3-carboxylic acid
CID 114628887
2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114629951
3-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
CID 114629744
2-bromo-N-[(1S,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-5-methylbenzamide
CID 129381319
N-[(1S,2S)-2-methylcyclopentyl]-1H-pyrazole-5-carboxamide
CID 59304482

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-pyrazole-5-carboxamide (CID 114630425) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-pyrazole-5-carboxamide is CC1(C)C(O)CC1NC(=O)c1ccn[nH]1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-pyrazole-5-carboxamide?
The InChIKey is LYYUMIYFZLFSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-10(2)7(5-8(10)14)12-9(15)6-3-4-11-13-6/h3-4,7-8,14H,5H2,1-2H3,(H,11,13)(H,12,15).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-pyrazole-5-carboxamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-pyrazole-5-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 114630425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).