N-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethane-1,2-diamine

C15H22N4O — CID 103569541

IUPACN-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESCCn1cc(C(CN)N(Cc2ccco2)C2CC2)cn1
InChIInChI=1S/C15H22N4O/c1-2-18-10-12(9-17-18)15(8-16)19(13-5-6-13)11-14-4-3-7-20-14/h3-4,7,9-10,13,15H,2,5-6,8,11,16H2,1H3
InChIKeyYKJBILBYGPBXRV-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.16
Rot. Bonds7

About N-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethane-1,2-diamine

N-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 103569541) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
PubChem CID103569541
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESCCn1cc(C(CN)N(Cc2ccco2)C2CC2)cn1
InChIInChI=1S/C15H22N4O/c1-2-18-10-12(9-17-18)15(8-16)19(13-5-6-13)11-14-4-3-7-20-14/h3-4,7,9-10,13,15H,2,5-6,8,11,16H2,1H3
InChIKeyYKJBILBYGPBXRV-UHFFFAOYSA-N
XLogP2.16
TPSA60.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-(furan-2-ylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66117308
N-cyclopropyl-N-(furan-2-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986450
1-(1-ethylpyrazol-4-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105108978
N-(cyclohexylmethyl)-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 103569513
N-cyclopentyl-N-(2-methylpropyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571958
N-cyclopropyl-1-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433425
2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid
CID 55003590
1-(1-ethylpyrazol-4-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 103569459
N-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylethane-1,2-diamine
CID 103569442
1-(1-ethylpyrazol-4-yl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 103569698
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine
CID 55087669
1-(1-ethylpyrazol-4-yl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 103569563

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethane-1,2-diamine (CID 103569541) is N-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethane-1,2-diamine is CCn1cc(C(CN)N(Cc2ccco2)C2CC2)cn1.
What is the InChIKey of N-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is YKJBILBYGPBXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-18-10-12(9-17-18)15(8-16)19(13-5-6-13)11-14-4-3-7-20-14/h3-4,7,9-10,13,15H,2,5-6,8,11,16H2,1H3.
What are the key properties of N-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethane-1,2-diamine?
N-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 103569541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).