4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine

C13H25N3 — CID 82870384

IUPAC4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine
SMILESCCCNC(CCc1ccn(C)n1)C(C)C
InChIInChI=1S/C13H25N3/c1-5-9-14-13(11(2)3)7-6-12-8-10-16(4)15-12/h8,10-11,13-14H,5-7,9H2,1-4H3
InChIKeyGWQMGFOIAKUTRT-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.38
Rot. Bonds7

About 4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine

4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine (PubChem CID 82870384) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine
PubChem CID82870384
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine
SMILESCCCNC(CCc1ccn(C)n1)C(C)C
InChIInChI=1S/C13H25N3/c1-5-9-14-13(11(2)3)7-6-12-8-10-16(4)15-12/h8,10-11,13-14H,5-7,9H2,1-4H3
InChIKeyGWQMGFOIAKUTRT-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrazol-3-yl)-N-propylheptan-4-amine
CID 82870874
1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 82878098
4-(1-methylpyrazol-3-yl)butan-2-ol
CID 82875953
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-3-amine
CID 64783818
6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine
CID 64777007
1-(1-methylpyrazol-3-yl)hexan-3-amine
CID 82869047
3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 82882611
N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82876021
4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine
CID 82881975
3-(3-bromopentyl)-1-methylpyrazole
CID 82877302
N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
CID 82877634
3-(4-chloro-3-methylbutyl)-1-methylpyrazole
CID 82870525

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine?
The IUPAC name of 4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine (CID 82870384) is 4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine.
What is the SMILES notation for 4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine?
The canonical SMILES for 4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine is CCCNC(CCc1ccn(C)n1)C(C)C.
What is the InChIKey of 4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine?
The InChIKey is GWQMGFOIAKUTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-9-14-13(11(2)3)7-6-12-8-10-16(4)15-12/h8,10-11,13-14H,5-7,9H2,1-4H3.
What are the key properties of 4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine?
4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine has a molecular weight of 223.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine is sourced from PubChem (CID 82870384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).