methyl-(5-pyridin-3-yl-1H-pyrazol-3-yl)carbamic acid

C10H10N4O2 — CID 68709110

IUPACmethyl-(5-pyridin-3-yl-1H-pyrazol-3-yl)carbamic acid
SMILESCN(C(=O)O)c1cc(-c2cccnc2)[nH]n1
InChIInChI=1S/C10H10N4O2/c1-14(10(15)16)9-5-8(12-13-9)7-3-2-4-11-6-7/h2-6H,1H3,(H,12,13)(H,15,16)
InChIKeyPWFUJUHOLSISHH-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.59
Rot. Bonds2

About methyl-(5-pyridin-3-yl-1H-pyrazol-3-yl)carbamic acid

methyl-(5-pyridin-3-yl-1H-pyrazol-3-yl)carbamic acid (PubChem CID 68709110) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is methyl-(5-pyridin-3-yl-1H-pyrazol-3-yl)carbamic acid.

Molecular Properties

Compound Namemethyl-(5-pyridin-3-yl-1H-pyrazol-3-yl)carbamic acid
PubChem CID68709110
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Namemethyl-(5-pyridin-3-yl-1H-pyrazol-3-yl)carbamic acid
SMILESCN(C(=O)O)c1cc(-c2cccnc2)[nH]n1
InChIInChI=1S/C10H10N4O2/c1-14(10(15)16)9-5-8(12-13-9)7-3-2-4-11-6-7/h2-6H,1H3,(H,12,13)(H,15,16)
InChIKeyPWFUJUHOLSISHH-UHFFFAOYSA-N
XLogP1.59
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-pyridin-3-yl-1H-pyrazol-3-yl)acetamide
CID 137321038
1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone
CID 141253759
5-pyridin-3-yl-1H-pyrazol-3-amine;hydrochloride
CID 47002499
N-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-6-pyrazol-1-ylpyridine-2-carboxamide
CID 75372512
4-methylsulfanyl-2-oxo-6-pyridin-3-yl-1H-pyridine-3-carboxylic acid
CID 102087393
3-(5-pyridin-3-yl-1H-imidazol-2-yl)butanoic acid
CID 116878820
3-[5-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]-1H-pyrazol-3-yl]pyridine;4-[3-[3-(5-pyridin-4-yl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-5-yl]pyridine
CID 144664737
3-[3-(3,4,5-trifluorophenyl)-1H-pyrazol-5-yl]pyridine
CID 141253718
2-chloro-3-methyl-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)benzamide
CID 167757416
N,N-dimethyl-5-pyridin-3-yl-1H-imidazol-2-amine
CID 54038486
2-methyl-5-(3-pyridin-3-yl-1H-pyrazol-5-yl)pyrazine
CID 141253813
3-pyridin-3-ylbenzoic acid
CID 2795575

Frequently Asked Questions

What is the IUPAC name of methyl-(5-pyridin-3-yl-1H-pyrazol-3-yl)carbamic acid?
The IUPAC name of methyl-(5-pyridin-3-yl-1H-pyrazol-3-yl)carbamic acid (CID 68709110) is methyl-(5-pyridin-3-yl-1H-pyrazol-3-yl)carbamic acid.
What is the SMILES notation for methyl-(5-pyridin-3-yl-1H-pyrazol-3-yl)carbamic acid?
The canonical SMILES for methyl-(5-pyridin-3-yl-1H-pyrazol-3-yl)carbamic acid is CN(C(=O)O)c1cc(-c2cccnc2)[nH]n1.
What is the InChIKey of methyl-(5-pyridin-3-yl-1H-pyrazol-3-yl)carbamic acid?
The InChIKey is PWFUJUHOLSISHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-14(10(15)16)9-5-8(12-13-9)7-3-2-4-11-6-7/h2-6H,1H3,(H,12,13)(H,15,16).
What are the key properties of methyl-(5-pyridin-3-yl-1H-pyrazol-3-yl)carbamic acid?
methyl-(5-pyridin-3-yl-1H-pyrazol-3-yl)carbamic acid has a molecular weight of 218.22 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(5-pyridin-3-yl-1H-pyrazol-3-yl)carbamic acid is sourced from PubChem (CID 68709110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).