N-(5-methylhexan-2-yl)-2-propylpyrazol-3-amine

C13H25N3 — CID 115926056

IUPACN-(5-methylhexan-2-yl)-2-propylpyrazol-3-amine
SMILESCCCn1nccc1NC(C)CCC(C)C
InChIInChI=1S/C13H25N3/c1-5-10-16-13(8-9-14-16)15-12(4)7-6-11(2)3/h8-9,11-12,15H,5-7,10H2,1-4H3
InChIKeySXMFPHUOYIXORE-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.53
Rot. Bonds7

About N-(5-methylhexan-2-yl)-2-propylpyrazol-3-amine

N-(5-methylhexan-2-yl)-2-propylpyrazol-3-amine (PubChem CID 115926056) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-2-propylpyrazol-3-amine.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-2-propylpyrazol-3-amine
PubChem CID115926056
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-(5-methylhexan-2-yl)-2-propylpyrazol-3-amine
SMILESCCCn1nccc1NC(C)CCC(C)C
InChIInChI=1S/C13H25N3/c1-5-10-16-13(8-9-14-16)15-12(4)7-6-11(2)3/h8-9,11-12,15H,5-7,10H2,1-4H3
InChIKeySXMFPHUOYIXORE-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethoxypropan-2-yl)-2-propylpyrazol-3-amine
CID 115926039
N-(1-methylsulfonylpropan-2-yl)-2-propylpyrazol-3-amine
CID 115926037
N-heptan-2-yl-2-methylpyrazol-3-amine
CID 115921288
N-(2-ethylbutyl)-2-propylpyrazol-3-amine
CID 115924285
N-(6-methylheptan-2-yl)-3-propyltriazol-4-amine
CID 114222762
4-chloro-5-(5-methylhexan-2-ylamino)-2-propylpyridazin-3-one
CID 114438256
N-butan-2-yl-2-(cyclopropylmethyl)pyrazol-3-amine
CID 115921786
N-(2-methylpropoxy)-1-(2-propylpyrazol-3-yl)methanamine
CID 114556013
2-butyl-N-(2-methylpentyl)pyrazol-3-amine
CID 115909262
N-(3-methylpentan-2-yl)-2-(2-methylpropyl)pyrazol-3-amine
CID 115927824
1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine
CID 159136598
N-(1-methoxybutan-2-yl)-2-(2-methylpropyl)pyrazol-3-amine
CID 115927827

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-2-propylpyrazol-3-amine?
The IUPAC name of N-(5-methylhexan-2-yl)-2-propylpyrazol-3-amine (CID 115926056) is N-(5-methylhexan-2-yl)-2-propylpyrazol-3-amine.
What is the SMILES notation for N-(5-methylhexan-2-yl)-2-propylpyrazol-3-amine?
The canonical SMILES for N-(5-methylhexan-2-yl)-2-propylpyrazol-3-amine is CCCn1nccc1NC(C)CCC(C)C.
What is the InChIKey of N-(5-methylhexan-2-yl)-2-propylpyrazol-3-amine?
The InChIKey is SXMFPHUOYIXORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-10-16-13(8-9-14-16)15-12(4)7-6-11(2)3/h8-9,11-12,15H,5-7,10H2,1-4H3.
What are the key properties of N-(5-methylhexan-2-yl)-2-propylpyrazol-3-amine?
N-(5-methylhexan-2-yl)-2-propylpyrazol-3-amine has a molecular weight of 223.36 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-2-propylpyrazol-3-amine is sourced from PubChem (CID 115926056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).