N-[5-(1-methoxycyclopropyl)-2-methylphenyl]-1H-pyrazol-5-amine

C14H17N3O — CID 91567032

IUPACN-[5-(1-methoxycyclopropyl)-2-methylphenyl]-1H-pyrazol-5-amine
SMILESCOC1(c2ccc(C)c(Nc3ccn[nH]3)c2)CC1
InChIInChI=1S/C14H17N3O/c1-10-3-4-11(14(18-2)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)
InChIKeyPGJDCHOVFKUPKJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.10
Rot. Bonds4

About N-[5-(1-methoxycyclopropyl)-2-methylphenyl]-1H-pyrazol-5-amine

N-[5-(1-methoxycyclopropyl)-2-methylphenyl]-1H-pyrazol-5-amine (PubChem CID 91567032) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[5-(1-methoxycyclopropyl)-2-methylphenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-[5-(1-methoxycyclopropyl)-2-methylphenyl]-1H-pyrazol-5-amine
PubChem CID91567032
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[5-(1-methoxycyclopropyl)-2-methylphenyl]-1H-pyrazol-5-amine
SMILESCOC1(c2ccc(C)c(Nc3ccn[nH]3)c2)CC1
InChIInChI=1S/C14H17N3O/c1-10-3-4-11(14(18-2)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)
InChIKeyPGJDCHOVFKUPKJ-UHFFFAOYSA-N
XLogP3.10
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-5-(1-methylcyclopropyl)phenyl]-1H-pyrazol-5-amine
CID 91510406
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-(2,4-dimethylphenyl)-1H-pyrazol-5-amine
CID 90804620
N-[5-(furan-2-yl)-2-methylphenyl]-1H-pyrazol-5-amine
CID 90934469
N-(4-chloro-2-fluorophenyl)-1H-pyrazol-5-amine
CID 90754522
4-(4-chloro-3-methylphenyl)-4-methoxyazepane
CID 71136268
2-(3-methoxy-4-methylphenyl)-N-(1H-pyrazol-5-yl)acetamide
CID 61393750
2-methyl-N-(1H-pyrazol-5-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 43700438
1-[4-(1-methoxycyclopropyl)phenyl]cyclopropan-1-amine
CID 117112388
5-(1-methylcyclopropyl)-1H-pyrazole;hydrochloride
CID 86775699
3-[4-(1-methoxycyclopropyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111288

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methoxycyclopropyl)-2-methylphenyl]-1H-pyrazol-5-amine?
The IUPAC name of N-[5-(1-methoxycyclopropyl)-2-methylphenyl]-1H-pyrazol-5-amine (CID 91567032) is N-[5-(1-methoxycyclopropyl)-2-methylphenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for N-[5-(1-methoxycyclopropyl)-2-methylphenyl]-1H-pyrazol-5-amine?
The canonical SMILES for N-[5-(1-methoxycyclopropyl)-2-methylphenyl]-1H-pyrazol-5-amine is COC1(c2ccc(C)c(Nc3ccn[nH]3)c2)CC1.
What is the InChIKey of N-[5-(1-methoxycyclopropyl)-2-methylphenyl]-1H-pyrazol-5-amine?
The InChIKey is PGJDCHOVFKUPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-3-4-11(14(18-2)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-[5-(1-methoxycyclopropyl)-2-methylphenyl]-1H-pyrazol-5-amine?
N-[5-(1-methoxycyclopropyl)-2-methylphenyl]-1H-pyrazol-5-amine has a molecular weight of 243.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methoxycyclopropyl)-2-methylphenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 91567032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).