N-[(4-aminocyclohexyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine

C14H20N4O — CID 59230530

IUPACN-[(4-aminocyclohexyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine
SMILESNC1CCC(CNc2cc(-c3ccco3)[nH]n2)CC1
InChIInChI=1S/C14H20N4O/c15-11-5-3-10(4-6-11)9-16-14-8-12(17-18-14)13-2-1-7-19-13/h1-2,7-8,10-11H,3-6,9,15H2,(H2,16,17,18)
InChIKeyDKOWXBXTZVQRNW-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.60
Rot. Bonds4

About N-[(4-aminocyclohexyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine

N-[(4-aminocyclohexyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine (PubChem CID 59230530) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine
PubChem CID59230530
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[(4-aminocyclohexyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine
SMILESNC1CCC(CNc2cc(-c3ccco3)[nH]n2)CC1
InChIInChI=1S/C14H20N4O/c15-11-5-3-10(4-6-11)9-16-14-8-12(17-18-14)13-2-1-7-19-13/h1-2,7-8,10-11H,3-6,9,15H2,(H2,16,17,18)
InChIKeyDKOWXBXTZVQRNW-UHFFFAOYSA-N
XLogP2.60
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine (CID 59230530) is N-[(4-aminocyclohexyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine is NC1CCC(CNc2cc(-c3ccco3)[nH]n2)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine?
The InChIKey is DKOWXBXTZVQRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c15-11-5-3-10(4-6-11)9-16-14-8-12(17-18-14)13-2-1-7-19-13/h1-2,7-8,10-11H,3-6,9,15H2,(H2,16,17,18).
What are the key properties of N-[(4-aminocyclohexyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine?
N-[(4-aminocyclohexyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine has a molecular weight of 260.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-5-(furan-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 59230530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).