1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine

C12H19N5 — CID 114252049

IUPAC1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
SMILESCCn1ccc(NCc2ccn(C(C)C)n2)n1
InChIInChI=1S/C12H19N5/c1-4-16-7-6-12(15-16)13-9-11-5-8-17(14-11)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,13,15)
InChIKeyMBBCUZYYERLFMN-UHFFFAOYSA-N
MW233.32 g/mol
LogP2.29
Rot. Bonds5

About 1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine

1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine (PubChem CID 114252049) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
PubChem CID114252049
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
SMILESCCn1ccc(NCc2ccn(C(C)C)n2)n1
InChIInChI=1S/C12H19N5/c1-4-16-7-6-12(15-16)13-9-11-5-8-17(14-11)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,13,15)
InChIKeyMBBCUZYYERLFMN-UHFFFAOYSA-N
XLogP2.29
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(1-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166587
3-[(1-ethylpyrazol-3-yl)amino]-2-methylpropanenitrile
CID 130496237
N-[(5-bromo-2-pyridinyl)methyl]-1-propan-2-ylpyrazol-3-amine
CID 114094567
4-propan-2-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64773415
1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine
CID 141210636
1-butan-2-yl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122166550
2,6-dichloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 65469409
2-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64770909
2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
CID 103699639
N-butan-2-yl-1-ethylpyrazol-3-amine
CID 130496120
2-[(1-ethylpyrazol-3-yl)amino]propanenitrile
CID 130496243
N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64771079

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine (CID 114252049) is 1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine is CCn1ccc(NCc2ccn(C(C)C)n2)n1.
What is the InChIKey of 1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine?
The InChIKey is MBBCUZYYERLFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-4-16-7-6-12(15-16)13-9-11-5-8-17(14-11)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,13,15).
What are the key properties of 1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine?
1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine has a molecular weight of 233.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 114252049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).