N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine

C13H17N3O — CID 61284670

IUPACN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine
SMILESCC1CC1c1ccc(CNCc2ccn[nH]2)o1
InChIInChI=1S/C13H17N3O/c1-9-6-12(9)13-3-2-11(17-13)8-14-7-10-4-5-15-16-10/h2-5,9,12,14H,6-8H2,1H3,(H,15,16)
InChIKeyUKPUPEWLYHCFKX-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.42
Rot. Bonds5

About N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine (PubChem CID 61284670) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine
PubChem CID61284670
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine
SMILESCC1CC1c1ccc(CNCc2ccn[nH]2)o1
InChIInChI=1S/C13H17N3O/c1-9-6-12(9)13-3-2-11(17-13)8-14-7-10-4-5-15-16-10/h2-5,9,12,14H,6-8H2,1H3,(H,15,16)
InChIKeyUKPUPEWLYHCFKX-UHFFFAOYSA-N
XLogP2.42
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine?
The IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine (CID 61284670) is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine?
The canonical SMILES for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine is CC1CC1c1ccc(CNCc2ccn[nH]2)o1.
What is the InChIKey of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine?
The InChIKey is UKPUPEWLYHCFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-6-12(9)13-3-2-11(17-13)8-14-7-10-4-5-15-16-10/h2-5,9,12,14H,6-8H2,1H3,(H,15,16).
What are the key properties of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine?
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine has a molecular weight of 231.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 61284670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).