2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine

C13H25N3 — CID 107887013

IUPAC2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCC(C)n1cc(CNCC(C)C)cn1
InChIInChI=1S/C13H25N3/c1-5-6-12(4)16-10-13(9-15-16)8-14-7-11(2)3/h9-12,14H,5-8H2,1-4H3
InChIKeyGDZZYLPXLZKVIS-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.99
Rot. Bonds7

About 2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine

2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 107887013) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID107887013
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCC(C)n1cc(CNCC(C)C)cn1
InChIInChI=1S/C13H25N3/c1-5-6-12(4)16-10-13(9-15-16)8-14-7-11(2)3/h9-12,14H,5-8H2,1-4H3
InChIKeyGDZZYLPXLZKVIS-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-pentan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 107887002
N-[(1-butan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270583
3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]hexan-1-ol
CID 103707888
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]pentan-1-ol
CID 103748663
3-[4-(aminomethyl)pyrazol-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine
CID 146554374
1-(1-pentan-2-ylpyrazol-4-yl)ethanol
CID 107887185
1-[(2R)-pentan-2-yl]pyrazol-4-amine
CID 95212149
N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine;hydrochloride
CID 126967036
2-methyl-N-[[1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-1-amine
CID 64776921
2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 115623017
1-pentan-2-ylpyrazole-4-carbonitrile
CID 126972627

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine (CID 107887013) is 2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine is CCCC(C)n1cc(CNCC(C)C)cn1.
What is the InChIKey of 2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is GDZZYLPXLZKVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-6-12(4)16-10-13(9-15-16)8-14-7-11(2)3/h9-12,14H,5-8H2,1-4H3.
What are the key properties of 2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine?
2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 107887013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).