3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine

C13H25N3 — CID 114555629

IUPAC3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine
SMILESCCCn1nccc1CNC(C)C(C)CC
InChIInChI=1S/C13H25N3/c1-5-9-16-13(7-8-15-16)10-14-12(4)11(3)6-2/h7-8,11-12,14H,5-6,9-10H2,1-4H3
InChIKeyKPLHTMWFUNLEBM-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.82
Rot. Bonds7

About 3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine

3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine (PubChem CID 114555629) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine
PubChem CID114555629
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine
SMILESCCCn1nccc1CNC(C)C(C)CC
InChIInChI=1S/C13H25N3/c1-5-9-16-13(7-8-15-16)10-14-12(4)11(3)6-2/h7-8,11-12,14H,5-6,9-10H2,1-4H3
InChIKeyKPLHTMWFUNLEBM-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]pentanoate
CID 114555320
4-methyl-N-[(2-propylpyrazol-3-yl)methyl]hexan-2-amine
CID 114555867
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
(2R)-N-[(2-ethylpyrazol-3-yl)methyl]-3-methylbutan-2-amine
CID 97358257
(2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
CID 104939501
(1S)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986059
(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986058
N-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine
CID 114556013
4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 106348790
1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114555894
4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 114555939
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine?
The IUPAC name of 3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine (CID 114555629) is 3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine.
What is the SMILES notation for 3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine?
The canonical SMILES for 3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine is CCCn1nccc1CNC(C)C(C)CC.
What is the InChIKey of 3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine?
The InChIKey is KPLHTMWFUNLEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-9-16-13(7-8-15-16)10-14-12(4)11(3)6-2/h7-8,11-12,14H,5-6,9-10H2,1-4H3.
What are the key properties of 3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine?
3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine is sourced from PubChem (CID 114555629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).