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

C12H23N3 — CID 64771079

IUPACN-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1ccn(C(C)C)n1
InChIInChI=1S/C12H23N3/c1-5-6-11(4)13-9-12-7-8-15(14-12)10(2)3/h7-8,10-11,13H,5-6,9H2,1-4H3
InChIKeyVWPLTHKTSJSGIW-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.74
Rot. Bonds6

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

N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine (PubChem CID 64771079) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
PubChem CID64771079
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1ccn(C(C)C)n1
InChIInChI=1S/C12H23N3/c1-5-6-11(4)13-9-12-7-8-15(14-12)10(2)3/h7-8,10-11,13H,5-6,9H2,1-4H3
InChIKeyVWPLTHKTSJSGIW-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-propan-2-ylpyrazol-3-yl)methyl]hex-1-yn-3-amine
CID 106229761
4-bromo-N-[(1-butan-2-ylpyrazol-3-yl)methyl]butan-2-amine
CID 83188395
1-iodo-3-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-2-amine
CID 107859366
1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64771198
1-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine
CID 64771808
1-(furan-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine
CID 64771807
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine
CID 64799152
N-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide
CID 171523336
(1R)-1-(2-fluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]ethanamine
CID 81380918
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine
CID 78920997
1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol
CID 103454908
1-(1-propan-2-ylpyrazol-3-yl)hexan-3-amine
CID 64773654

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine?
The IUPAC name of N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine (CID 64771079) is N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine.
What is the SMILES notation for N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine?
The canonical SMILES for N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine is CCCC(C)NCc1ccn(C(C)C)n1.
What is the InChIKey of N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine?
The InChIKey is VWPLTHKTSJSGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-6-11(4)13-9-12-7-8-15(14-12)10(2)3/h7-8,10-11,13H,5-6,9H2,1-4H3.
What are the key properties of N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine?
N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine is sourced from PubChem (CID 64771079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).