N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pentan-3-amine

C12H23N3 — CID 50985078

IUPACN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pentan-3-amine
SMILESCCC(CC)NC(C)Cc1cc(C)[nH]n1
InChIInChI=1S/C12H23N3/c1-5-11(6-2)13-9(3)7-12-8-10(4)14-15-12/h8-9,11,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyQZMJHPAPQZLGMF-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.43
Rot. Bonds6

About N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pentan-3-amine

N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pentan-3-amine (PubChem CID 50985078) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pentan-3-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pentan-3-amine
PubChem CID50985078
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pentan-3-amine
SMILESCCC(CC)NC(C)Cc1cc(C)[nH]n1
InChIInChI=1S/C12H23N3/c1-5-11(6-2)13-9(3)7-12-8-10(4)14-15-12/h8-9,11,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyQZMJHPAPQZLGMF-UHFFFAOYSA-N
XLogP2.43
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-diethyl-1H-pyrazole
CID 4306367
3,5-Diisopropylpyrazole
CID 5255229
(3-ethyl-1H-pyrazol-5-yl)methanamine
CID 23006039
((5-tert-butyl-1H-pyrazol-3-yl)methyl)(methyl)amine
CID 44236865
1-(5-Cyclopropyl-1H-pyrazol-3-YL)-N-methylmethanamine
CID 44236867
N-methyl-1-(5-methyl-1H-pyrazol-3-yl)methanamine
CID 3157457
(3-methyl-1H-pyrazol-5-yl)methanamine
CID 7446898
1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
CID 5102523
3-[3-(propan-2-yl)-1H-pyrazol-5-yl]piperidine
CID 71695345
N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]tetrahydro-2H-thiopyran-4-amine
CID 50962580
1-isobutyl-N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]piperidin-4-amine
CID 56712928
N,2,2,6,6-Pentamethyl-N-[(5-propyl-1H-pyrazol-3-YL)methyl]piperidin-4-amine
CID 56748665

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pentan-3-amine?
The IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pentan-3-amine (CID 50985078) is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pentan-3-amine.
What is the SMILES notation for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pentan-3-amine?
The canonical SMILES for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pentan-3-amine is CCC(CC)NC(C)Cc1cc(C)[nH]n1.
What is the InChIKey of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pentan-3-amine?
The InChIKey is QZMJHPAPQZLGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-11(6-2)13-9(3)7-12-8-10(4)14-15-12/h8-9,11,13H,5-7H2,1-4H3,(H,14,15).
What are the key properties of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pentan-3-amine?
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pentan-3-amine has a molecular weight of 209.34 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pentan-3-amine is sourced from PubChem (CID 50985078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).