(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)methanamine

C11H17N3 — CID 104811561

IUPAC(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)methanamine
SMILESCC#CCCn1nc(C)c(CN)c1C
InChIInChI=1S/C11H17N3/c1-4-5-6-7-14-10(3)11(8-12)9(2)13-14/h6-8,12H2,1-3H3
InChIKeyYMCCPINMLGPXKC-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.37
Rot. Bonds3

About (3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)methanamine

(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)methanamine (PubChem CID 104811561) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)methanamine
PubChem CID104811561
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)methanamine
SMILESCC#CCCn1nc(C)c(CN)c1C
InChIInChI=1S/C11H17N3/c1-4-5-6-7-14-10(3)11(8-12)9(2)13-14/h6-8,12H2,1-3H3
InChIKeyYMCCPINMLGPXKC-UHFFFAOYSA-N
XLogP1.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]butanenitrile
CID 43647483
N-[2-(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)ethyl]propan-1-amine
CID 104811614
[3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methanamine
CID 43647568
3-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]propanenitrile
CID 79219987
2-[2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]ethoxy]ethanol
CID 61071648
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 43647536
[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 65445831
[3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine
CID 66141535
[3,5-dimethyl-1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]methanamine
CID 62697887
methyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;dihydrochloride
CID 71757186
ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;dihydrochloride
CID 86767563
2-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanamine
CID 62729687

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)methanamine?
The IUPAC name of (3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)methanamine (CID 104811561) is (3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)methanamine.
What is the SMILES notation for (3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)methanamine?
The canonical SMILES for (3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)methanamine is CC#CCCn1nc(C)c(CN)c1C.
What is the InChIKey of (3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)methanamine?
The InChIKey is YMCCPINMLGPXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-5-6-7-14-10(3)11(8-12)9(2)13-14/h6-8,12H2,1-3H3.
What are the key properties of (3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)methanamine?
(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)methanamine has a molecular weight of 191.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)methanamine is sourced from PubChem (CID 104811561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).