1-methyl-N-(2-methylpentan-3-yl)-3-propylpyrazol-5-amine

C13H25N3 — CID 115923316

IUPAC1-methyl-N-(2-methylpentan-3-yl)-3-propylpyrazol-5-amine
SMILESCCCc1cc(NC(CC)C(C)C)n(C)n1
InChIInChI=1S/C13H25N3/c1-6-8-11-9-13(16(5)15-11)14-12(7-2)10(3)4/h9-10,12,14H,6-8H2,1-5H3
InChIKeyMKWNMHJGEHRXRB-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.22
Rot. Bonds6

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

1-methyl-N-(2-methylpentan-3-yl)-3-propylpyrazol-5-amine (PubChem CID 115923316) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-methyl-N-(2-methylpentan-3-yl)-3-propylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-(2-methylpentan-3-yl)-3-propylpyrazol-5-amine
PubChem CID115923316
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-methyl-N-(2-methylpentan-3-yl)-3-propylpyrazol-5-amine
SMILESCCCc1cc(NC(CC)C(C)C)n(C)n1
InChIInChI=1S/C13H25N3/c1-6-8-11-9-13(16(5)15-11)14-12(7-2)10(3)4/h9-10,12,14H,6-8H2,1-5H3
InChIKeyMKWNMHJGEHRXRB-UHFFFAOYSA-N
XLogP3.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-methylpentyl)-3-propylpyrazol-5-amine
CID 115908857
(1-methyl-3-propylpyrazol-5-yl)urea
CID 130778456
1-(1-methyl-3-propylpyrazol-5-yl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99587018
3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine
CID 115923153
3-ethyl-1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-5-amine
CID 115927876
1-(1-methyl-3-propylpyrazol-5-yl)ethanone
CID 58815494
2-tert-butyl-4-N-(2-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80960854
1-methyl-5-N-(2-methylpentan-3-yl)-3-propan-2-ylpyrazole-4,5-diamine
CID 66018408
1-methyl-3-propylpyrazole-5-sulfonyl chloride
CID 62409850
1-methyl-5-(3-methylthiophen-2-yl)-3-propylpyrazole
CID 67260246
(2R)-2-amino-N-(3-ethyl-1-methylpyrazol-5-yl)propanamide;hydrochloride
CID 130685991
6-chloro-5-methyl-N-(2-methylpentan-3-yl)-2-propylpyrimidin-4-amine
CID 80971489

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylpentan-3-yl)-3-propylpyrazol-5-amine?
The IUPAC name of 1-methyl-N-(2-methylpentan-3-yl)-3-propylpyrazol-5-amine (CID 115923316) is 1-methyl-N-(2-methylpentan-3-yl)-3-propylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-N-(2-methylpentan-3-yl)-3-propylpyrazol-5-amine?
The canonical SMILES for 1-methyl-N-(2-methylpentan-3-yl)-3-propylpyrazol-5-amine is CCCc1cc(NC(CC)C(C)C)n(C)n1.
What is the InChIKey of 1-methyl-N-(2-methylpentan-3-yl)-3-propylpyrazol-5-amine?
The InChIKey is MKWNMHJGEHRXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-8-11-9-13(16(5)15-11)14-12(7-2)10(3)4/h9-10,12,14H,6-8H2,1-5H3.
What are the key properties of 1-methyl-N-(2-methylpentan-3-yl)-3-propylpyrazol-5-amine?
1-methyl-N-(2-methylpentan-3-yl)-3-propylpyrazol-5-amine has a molecular weight of 223.36 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylpentan-3-yl)-3-propylpyrazol-5-amine is sourced from PubChem (CID 115923316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).