N-[2-methyl-5-(1-methylcyclopropyl)phenyl]-1H-pyrazol-5-amine

C14H17N3 — CID 91510406

IUPACN-[2-methyl-5-(1-methylcyclopropyl)phenyl]-1H-pyrazol-5-amine
SMILESCc1ccc(C2(C)CC2)cc1Nc1ccn[nH]1
InChIInChI=1S/C14H17N3/c1-10-3-4-11(14(2)6-7-14)9-12(10)16-13-5-8-15-17-13/h3-5,8-9H,6-7H2,1-2H3,(H2,15,16,17)
InChIKeyJHCQVAPRVQICDW-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.51
Rot. Bonds3

About N-[2-methyl-5-(1-methylcyclopropyl)phenyl]-1H-pyrazol-5-amine

N-[2-methyl-5-(1-methylcyclopropyl)phenyl]-1H-pyrazol-5-amine (PubChem CID 91510406) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[2-methyl-5-(1-methylcyclopropyl)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-[2-methyl-5-(1-methylcyclopropyl)phenyl]-1H-pyrazol-5-amine
PubChem CID91510406
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-[2-methyl-5-(1-methylcyclopropyl)phenyl]-1H-pyrazol-5-amine
SMILESCc1ccc(C2(C)CC2)cc1Nc1ccn[nH]1
InChIInChI=1S/C14H17N3/c1-10-3-4-11(14(2)6-7-14)9-12(10)16-13-5-8-15-17-13/h3-5,8-9H,6-7H2,1-2H3,(H2,15,16,17)
InChIKeyJHCQVAPRVQICDW-UHFFFAOYSA-N
XLogP3.51
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(1-methoxycyclopropyl)-2-methylphenyl]-1H-pyrazol-5-amine
CID 91567032
N-(5-tert-butyl-2-methylphenyl)-1H-pyrazol-5-amine
CID 91071518
N-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 126752492
N-[5-(furan-2-yl)-2-methylphenyl]-1H-pyrazol-5-amine
CID 90934469
N-(2,4-dimethylphenyl)-1H-pyrazol-5-amine
CID 90804620
5-(1-methylcyclopropyl)-1H-pyrazole;hydrochloride
CID 86775699
ethane;2-methyl-4-(1-methylcyclopropyl)pyridine
CID 172609013
N-(3-methylphenyl)-1H-pyrazol-5-amine
CID 90800192
N-(4-chloro-2-fluorophenyl)-1H-pyrazol-5-amine
CID 90754522
5-(3-methyloxetan-3-yl)-1H-pyrazole
CID 118194967
N-(3,5-difluorophenyl)-1H-pyrazol-5-amine
CID 91409379
6-cyclopropyl-3-methyl-N-(1H-pyrazol-5-yl)-1,2-dihydropyridin-4-amine
CID 147423670

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(1-methylcyclopropyl)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of N-[2-methyl-5-(1-methylcyclopropyl)phenyl]-1H-pyrazol-5-amine (CID 91510406) is N-[2-methyl-5-(1-methylcyclopropyl)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for N-[2-methyl-5-(1-methylcyclopropyl)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for N-[2-methyl-5-(1-methylcyclopropyl)phenyl]-1H-pyrazol-5-amine is Cc1ccc(C2(C)CC2)cc1Nc1ccn[nH]1.
What is the InChIKey of N-[2-methyl-5-(1-methylcyclopropyl)phenyl]-1H-pyrazol-5-amine?
The InChIKey is JHCQVAPRVQICDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-3-4-11(14(2)6-7-14)9-12(10)16-13-5-8-15-17-13/h3-5,8-9H,6-7H2,1-2H3,(H2,15,16,17).
What are the key properties of N-[2-methyl-5-(1-methylcyclopropyl)phenyl]-1H-pyrazol-5-amine?
N-[2-methyl-5-(1-methylcyclopropyl)phenyl]-1H-pyrazol-5-amine has a molecular weight of 227.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(1-methylcyclopropyl)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 91510406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).