N-ethyl-1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanamine

C16H27N5 — CID 64777533

IUPACN-ethyl-1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanamine
SMILESCCNC(C)c1cnn(Cc2ccn(C(CC)CC)n2)c1
InChIInChI=1S/C16H27N5/c1-5-16(6-2)21-9-8-15(19-21)12-20-11-14(10-18-20)13(4)17-7-3/h8-11,13,16-17H,5-7,12H2,1-4H3
InChIKeyNRGWAQMPIOPZCV-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.16
Rot. Bonds8

About N-ethyl-1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanamine

N-ethyl-1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanamine (PubChem CID 64777533) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-ethyl-1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanamine
PubChem CID64777533
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN-ethyl-1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanamine
SMILESCCNC(C)c1cnn(Cc2ccn(C(CC)CC)n2)c1
InChIInChI=1S/C16H27N5/c1-5-16(6-2)21-9-8-15(19-21)12-20-11-14(10-18-20)13(4)17-7-3/h8-11,13,16-17H,5-7,12H2,1-4H3
InChIKeyNRGWAQMPIOPZCV-UHFFFAOYSA-N
XLogP3.16
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 64799954
[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanol
CID 64778509
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol
CID 64771770
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol
CID 64778903
(1S)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-phenylethanamine
CID 79001167
N-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
CID 62730873
(1S)-1-(4-methylphenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81349612
2-(4-methylpyrazol-1-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 103825944
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
N-ethyl-1-[1-(2-phenylsulfanylethyl)pyrazol-4-yl]ethanamine
CID 79229111
N-methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine
CID 82871677
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105136

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanamine (CID 64777533) is N-ethyl-1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanamine is CCNC(C)c1cnn(Cc2ccn(C(CC)CC)n2)c1.
What is the InChIKey of N-ethyl-1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanamine?
The InChIKey is NRGWAQMPIOPZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-5-16(6-2)21-9-8-15(19-21)12-20-11-14(10-18-20)13(4)17-7-3/h8-11,13,16-17H,5-7,12H2,1-4H3.
What are the key properties of N-ethyl-1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanamine?
N-ethyl-1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanamine has a molecular weight of 289.43 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanamine is sourced from PubChem (CID 64777533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).