(Z)-N,3-dimethyl-4-(1-propylpyrazol-4-yl)but-3-en-2-amine

C12H21N3 — CID 103573881

IUPAC(Z)-N,3-dimethyl-4-(1-propylpyrazol-4-yl)but-3-en-2-amine
SMILESCCCn1cc(/C=C(/C)C(C)NC)cn1
InChIInChI=1S/C12H21N3/c1-5-6-15-9-12(8-14-15)7-10(2)11(3)13-4/h7-9,11,13H,5-6H2,1-4H3/b10-7-
InChIKeyRFZCWPLAJBACAF-YFHOEESVSA-N
MW207.32 g/mol
LogP2.30
Rot. Bonds5

About (Z)-N,3-dimethyl-4-(1-propylpyrazol-4-yl)but-3-en-2-amine

(Z)-N,3-dimethyl-4-(1-propylpyrazol-4-yl)but-3-en-2-amine (PubChem CID 103573881) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (Z)-N,3-dimethyl-4-(1-propylpyrazol-4-yl)but-3-en-2-amine.

Molecular Properties

Compound Name(Z)-N,3-dimethyl-4-(1-propylpyrazol-4-yl)but-3-en-2-amine
PubChem CID103573881
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(Z)-N,3-dimethyl-4-(1-propylpyrazol-4-yl)but-3-en-2-amine
SMILESCCCn1cc(/C=C(/C)C(C)NC)cn1
InChIInChI=1S/C12H21N3/c1-5-6-15-9-12(8-14-15)7-10(2)11(3)13-4/h7-9,11,13H,5-6H2,1-4H3/b10-7-
InChIKeyRFZCWPLAJBACAF-YFHOEESVSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(E)-2-(chloromethyl)-3-methylbut-1-enyl]-1-propylpyrazole
CID 103573579
2-methyl-N-propyl-3-(1-propylpyrazol-4-yl)prop-2-en-1-amine
CID 103573610
(2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine
CID 103573592
(2Z)-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-ol
CID 103573573
N-methyl-3-(1-propylpyrazol-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 170814132
(Z)-3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 103571031
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
4-(1-propylpyrazol-4-yl)but-3-en-1-ol
CID 170476200
N-methyl-2-propyl-1-(1-propylpyrazol-4-yl)pentan-1-amine
CID 115807187
4-butan-2-yl-1-propylpyrazole
CID 130194925
N-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine
CID 103571015
2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086

Frequently Asked Questions

What is the IUPAC name of (Z)-N,3-dimethyl-4-(1-propylpyrazol-4-yl)but-3-en-2-amine?
The IUPAC name of (Z)-N,3-dimethyl-4-(1-propylpyrazol-4-yl)but-3-en-2-amine (CID 103573881) is (Z)-N,3-dimethyl-4-(1-propylpyrazol-4-yl)but-3-en-2-amine.
What is the SMILES notation for (Z)-N,3-dimethyl-4-(1-propylpyrazol-4-yl)but-3-en-2-amine?
The canonical SMILES for (Z)-N,3-dimethyl-4-(1-propylpyrazol-4-yl)but-3-en-2-amine is CCCn1cc(/C=C(/C)C(C)NC)cn1.
What is the InChIKey of (Z)-N,3-dimethyl-4-(1-propylpyrazol-4-yl)but-3-en-2-amine?
The InChIKey is RFZCWPLAJBACAF-YFHOEESVSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-6-15-9-12(8-14-15)7-10(2)11(3)13-4/h7-9,11,13H,5-6H2,1-4H3/b10-7-.
What are the key properties of (Z)-N,3-dimethyl-4-(1-propylpyrazol-4-yl)but-3-en-2-amine?
(Z)-N,3-dimethyl-4-(1-propylpyrazol-4-yl)but-3-en-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,3-dimethyl-4-(1-propylpyrazol-4-yl)but-3-en-2-amine is sourced from PubChem (CID 103573881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).