1-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-3-amine

C13H17N3O — CID 54921369

IUPAC1-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-3-amine
SMILESCC1CC1c1ccc(CNc2ccn(C)n2)o1
InChIInChI=1S/C13H17N3O/c1-9-7-11(9)12-4-3-10(17-12)8-14-13-5-6-16(2)15-13/h3-6,9,11H,7-8H2,1-2H3,(H,14,15)
InChIKeyFFJLYVYQQHVZJI-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.75
Rot. Bonds4

About 1-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-3-amine

1-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-3-amine (PubChem CID 54921369) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-3-amine
PubChem CID54921369
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-3-amine
SMILESCC1CC1c1ccc(CNc2ccn(C)n2)o1
InChIInChI=1S/C13H17N3O/c1-9-7-11(9)12-4-3-10(17-12)8-14-13-5-6-16(2)15-13/h3-6,9,11H,7-8H2,1-2H3,(H,14,15)
InChIKeyFFJLYVYQQHVZJI-UHFFFAOYSA-N
XLogP2.75
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-trimethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-4-amine
CID 43204438
5-[[(1-methylpyrazol-3-yl)amino]methyl]furan-2-carbonitrile
CID 115697836
N-[[5-(methoxymethyl)furan-2-yl]methyl]-1-methylpyrazol-3-amine
CID 115711122
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43107978
2,6-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 65468961
N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine
CID 30116573
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193593
2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propan-2-ol
CID 63932071
4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzonitrile
CID 43195287
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-methylsulfanylaniline
CID 43683366
2-N,2-N-dimethyl-5-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyridine-2,5-diamine
CID 43690494

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-3-amine?
The IUPAC name of 1-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-3-amine (CID 54921369) is 1-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-3-amine is CC1CC1c1ccc(CNc2ccn(C)n2)o1.
What is the InChIKey of 1-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-3-amine?
The InChIKey is FFJLYVYQQHVZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-7-11(9)12-4-3-10(17-12)8-14-13-5-6-16(2)15-13/h3-6,9,11H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 1-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-3-amine?
1-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrazol-3-amine is sourced from PubChem (CID 54921369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).