1-methyl-N-(2-methylpentyl)-3-propylpyrazol-5-amine

C13H25N3 — CID 115908857

IUPAC1-methyl-N-(2-methylpentyl)-3-propylpyrazol-5-amine
SMILESCCCc1cc(NCC(C)CCC)n(C)n1
InChIInChI=1S/C13H25N3/c1-5-7-11(3)10-14-13-9-12(8-6-2)15-16(13)4/h9,11,14H,5-8,10H2,1-4H3
InChIKeyASAXNEQWKSHVRL-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.22
Rot. Bonds7

About 1-methyl-N-(2-methylpentyl)-3-propylpyrazol-5-amine

1-methyl-N-(2-methylpentyl)-3-propylpyrazol-5-amine (PubChem CID 115908857) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-methyl-N-(2-methylpentyl)-3-propylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-(2-methylpentyl)-3-propylpyrazol-5-amine
PubChem CID115908857
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-methyl-N-(2-methylpentyl)-3-propylpyrazol-5-amine
SMILESCCCc1cc(NCC(C)CCC)n(C)n1
InChIInChI=1S/C13H25N3/c1-5-7-11(3)10-14-13-9-12(8-6-2)15-16(13)4/h9,11,14H,5-8,10H2,1-4H3
InChIKeyASAXNEQWKSHVRL-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(2-methylpentan-3-yl)-3-propylpyrazol-5-amine
CID 115923316
(1-methyl-3-propylpyrazol-5-yl)urea
CID 130778456
2-butyl-N-(2-methylpentyl)pyrazol-3-amine
CID 115909262
1,3-dimethyl-N-(2-methylpentyl)pyrazolo[5,4-b]pyridin-5-amine
CID 43725533
1-methyl-3-propylpyrazole-5-sulfonyl chloride
CID 62409850
N'-(2,5-dimethylpyrazol-3-yl)-2-methylbutane-1,4-diamine
CID 103569049
2-N,2-N-diethyl-5-N-(2-methylpentyl)pyridine-2,5-diamine
CID 43697114
(3R)-N-(1-methyl-3-propylpyrazol-5-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 99634463
(2S)-1-N-(2,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine
CID 130523401
N-(2-methylpentyl)-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43686586
2,4,6-trichloro-N-(2-methylpentyl)aniline
CID 43126426
1-(1-methyl-3-propylpyrazol-5-yl)ethanone
CID 58815494

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylpentyl)-3-propylpyrazol-5-amine?
The IUPAC name of 1-methyl-N-(2-methylpentyl)-3-propylpyrazol-5-amine (CID 115908857) is 1-methyl-N-(2-methylpentyl)-3-propylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-N-(2-methylpentyl)-3-propylpyrazol-5-amine?
The canonical SMILES for 1-methyl-N-(2-methylpentyl)-3-propylpyrazol-5-amine is CCCc1cc(NCC(C)CCC)n(C)n1.
What is the InChIKey of 1-methyl-N-(2-methylpentyl)-3-propylpyrazol-5-amine?
The InChIKey is ASAXNEQWKSHVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-7-11(3)10-14-13-9-12(8-6-2)15-16(13)4/h9,11,14H,5-8,10H2,1-4H3.
What are the key properties of 1-methyl-N-(2-methylpentyl)-3-propylpyrazol-5-amine?
1-methyl-N-(2-methylpentyl)-3-propylpyrazol-5-amine has a molecular weight of 223.36 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylpentyl)-3-propylpyrazol-5-amine is sourced from PubChem (CID 115908857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).