N-[1-(1H-pyrazol-4-yl)ethyl]butan-2-amine

C9H17N3 — CID 103905105

IUPACN-[1-(1H-pyrazol-4-yl)ethyl]butan-2-amine
SMILESCCC(C)NC(C)c1cn[nH]c1
InChIInChI=1S/C9H17N3/c1-4-7(2)12-8(3)9-5-10-11-6-9/h5-8,12H,4H2,1-3H3,(H,10,11)
InChIKeyQWDKYEHIVWIGAM-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.86
Rot. Bonds4

About N-[1-(1H-pyrazol-4-yl)ethyl]butan-2-amine

N-[1-(1H-pyrazol-4-yl)ethyl]butan-2-amine (PubChem CID 103905105) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-4-yl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-yl)ethyl]butan-2-amine
PubChem CID103905105
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-[1-(1H-pyrazol-4-yl)ethyl]butan-2-amine
SMILESCCC(C)NC(C)c1cn[nH]c1
InChIInChI=1S/C9H17N3/c1-4-7(2)12-8(3)9-5-10-11-6-9/h5-8,12H,4H2,1-3H3,(H,10,11)
InChIKeyQWDKYEHIVWIGAM-UHFFFAOYSA-N
XLogP1.86
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]octan-2-amine
CID 124672844
methyl 2-[1-(1H-pyrazol-4-yl)ethylamino]butanoate
CID 104953289
N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 104696536
1-(furan-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine
CID 106209160
N-[1-(1H-pyrazol-4-yl)ethyl]hexan-1-amine
CID 104696534
1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine
CID 103949479
1-(5-fluoro-2-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine
CID 114158466
1-(1H-pyrazol-4-yl)propan-1-amine
CID 62731706
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
1-[4-(2-methylpropoxy)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905160
3-chloro-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106211094
4-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103905109

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]butan-2-amine?
The IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]butan-2-amine (CID 103905105) is N-[1-(1H-pyrazol-4-yl)ethyl]butan-2-amine.
What is the SMILES notation for N-[1-(1H-pyrazol-4-yl)ethyl]butan-2-amine?
The canonical SMILES for N-[1-(1H-pyrazol-4-yl)ethyl]butan-2-amine is CCC(C)NC(C)c1cn[nH]c1.
What is the InChIKey of N-[1-(1H-pyrazol-4-yl)ethyl]butan-2-amine?
The InChIKey is QWDKYEHIVWIGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-7(2)12-8(3)9-5-10-11-6-9/h5-8,12H,4H2,1-3H3,(H,10,11).
What are the key properties of N-[1-(1H-pyrazol-4-yl)ethyl]butan-2-amine?
N-[1-(1H-pyrazol-4-yl)ethyl]butan-2-amine has a molecular weight of 167.26 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-4-yl)ethyl]butan-2-amine is sourced from PubChem (CID 103905105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).