3-(5-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine

C10H17N3 — CID 169464750

IUPAC3-(5-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine
SMILESCCCn1ncc(C=CCN)c1C
InChIInChI=1S/C10H17N3/c1-3-7-13-9(2)10(8-12-13)5-4-6-11/h4-5,8H,3,6-7,11H2,1-2H3
InChIKeyUKRXJYURFSXTIF-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.57
Rot. Bonds4

About 3-(5-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine

3-(5-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine (PubChem CID 169464750) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-(5-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(5-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine
PubChem CID169464750
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-(5-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine
SMILESCCCn1ncc(C=CCN)c1C
InChIInChI=1S/C10H17N3/c1-3-7-13-9(2)10(8-12-13)5-4-6-11/h4-5,8H,3,6-7,11H2,1-2H3
InChIKeyUKRXJYURFSXTIF-UHFFFAOYSA-N
XLogP1.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

S-[3-(5-methyl-1-propylpyrazol-4-yl)prop-2-enyl] ethanethioate
CID 169458551
N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine
CID 940393
9H-fluoren-9-ylmethyl N-[3-(5-methyl-1-propylpyrazol-4-yl)prop-2-enyl]carbamate
CID 169470899
1-hexyl-5-methylpyrazole-4-carbaldehyde
CID 139674807
(E)-4-(4-methoxy-1-propylpyrazol-5-yl)but-3-en-1-amine
CID 114666169
[2-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine
CID 66099328
N'-[(5-methyl-1-propylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 19621010
2-amino-2-(5-methyl-1-propylpyrazol-4-yl)acetic acid
CID 112713062
5-propan-2-yl-1-propylpyrazole-4-carbaldehyde
CID 112712313
2-(5-chloro-1-propylpyrazol-4-yl)ethanamine
CID 115017423
5-methoxy-4-methyl-1-propylpyrazole
CID 141420731
N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide
CID 19621017

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine?
The IUPAC name of 3-(5-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine (CID 169464750) is 3-(5-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine.
What is the SMILES notation for 3-(5-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine?
The canonical SMILES for 3-(5-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine is CCCn1ncc(C=CCN)c1C.
What is the InChIKey of 3-(5-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine?
The InChIKey is UKRXJYURFSXTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-7-13-9(2)10(8-12-13)5-4-6-11/h4-5,8H,3,6-7,11H2,1-2H3.
What are the key properties of 3-(5-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine?
3-(5-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine has a molecular weight of 179.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1-propylpyrazol-4-yl)prop-2-en-1-amine is sourced from PubChem (CID 169464750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).