N-butan-2-yl-1-ethylpyrazol-3-amine

C9H17N3 — CID 130496120

IUPACN-butan-2-yl-1-ethylpyrazol-3-amine
SMILESCCC(C)Nc1ccn(CC)n1
InChIInChI=1S/C9H17N3/c1-4-8(3)10-9-6-7-12(5-2)11-9/h6-8H,4-5H2,1-3H3,(H,10,11)
InChIKeyDBOVPGKCAQXKLR-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.11
Rot. Bonds4

About N-butan-2-yl-1-ethylpyrazol-3-amine

N-butan-2-yl-1-ethylpyrazol-3-amine (PubChem CID 130496120) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-butan-2-yl-1-ethylpyrazol-3-amine.

Molecular Properties

Compound NameN-butan-2-yl-1-ethylpyrazol-3-amine
PubChem CID130496120
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-butan-2-yl-1-ethylpyrazol-3-amine
SMILESCCC(C)Nc1ccn(CC)n1
InChIInChI=1S/C9H17N3/c1-4-8(3)10-9-6-7-12(5-2)11-9/h6-8H,4-5H2,1-3H3,(H,10,11)
InChIKeyDBOVPGKCAQXKLR-UHFFFAOYSA-N
XLogP2.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-(1-phenylpropan-2-yl)pyrazol-3-amine
CID 114251813
N-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine
CID 130496141
2-[(1-ethylpyrazol-3-yl)amino]propanenitrile
CID 130496243
1-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]pyrazol-3-amine
CID 114251787
1-ethyl-N-[1-(4-fluorophenyl)ethyl]pyrazol-3-amine
CID 114251809
N-pentan-3-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 115929500
3-[(1-ethylpyrazol-3-yl)amino]-2-methylpropanenitrile
CID 130496237
N-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide
CID 130927400
1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine
CID 114251829
1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 114252049
N-(1-ethylpyrazol-3-yl)-2H-tetrazol-5-amine
CID 164653293
1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921015

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-ethylpyrazol-3-amine?
The IUPAC name of N-butan-2-yl-1-ethylpyrazol-3-amine (CID 130496120) is N-butan-2-yl-1-ethylpyrazol-3-amine.
What is the SMILES notation for N-butan-2-yl-1-ethylpyrazol-3-amine?
The canonical SMILES for N-butan-2-yl-1-ethylpyrazol-3-amine is CCC(C)Nc1ccn(CC)n1.
What is the InChIKey of N-butan-2-yl-1-ethylpyrazol-3-amine?
The InChIKey is DBOVPGKCAQXKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-8(3)10-9-6-7-12(5-2)11-9/h6-8H,4-5H2,1-3H3,(H,10,11).
What are the key properties of N-butan-2-yl-1-ethylpyrazol-3-amine?
N-butan-2-yl-1-ethylpyrazol-3-amine has a molecular weight of 167.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-ethylpyrazol-3-amine is sourced from PubChem (CID 130496120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).