4-methyl-1-[(Z)-2-methylbut-1-enyl]pyrazol-5-amine

C9H15N3 — CID 146499224

IUPAC4-methyl-1-[(Z)-2-methylbut-1-enyl]pyrazol-5-amine
SMILESCC/C(C)=C\n1ncc(C)c1N
InChIInChI=1S/C9H15N3/c1-4-7(2)6-12-9(10)8(3)5-11-12/h5-6H,4,10H2,1-3H3/b7-6-
InChIKeyCRTBDEPFWUTFBC-SREVYHEPSA-N
MW165.24 g/mol
LogP2.04
Rot. Bonds2

About 4-methyl-1-[(Z)-2-methylbut-1-enyl]pyrazol-5-amine

4-methyl-1-[(Z)-2-methylbut-1-enyl]pyrazol-5-amine (PubChem CID 146499224) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-methyl-1-[(Z)-2-methylbut-1-enyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-methyl-1-[(Z)-2-methylbut-1-enyl]pyrazol-5-amine
PubChem CID146499224
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-methyl-1-[(Z)-2-methylbut-1-enyl]pyrazol-5-amine
SMILESCC/C(C)=C\n1ncc(C)c1N
InChIInChI=1S/C9H15N3/c1-4-7(2)6-12-9(10)8(3)5-11-12/h5-6H,4,10H2,1-3H3/b7-6-
InChIKeyCRTBDEPFWUTFBC-SREVYHEPSA-N
XLogP2.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(Z)-2-methylbut-1-enyl]pyrazol-5-amine?
The IUPAC name of 4-methyl-1-[(Z)-2-methylbut-1-enyl]pyrazol-5-amine (CID 146499224) is 4-methyl-1-[(Z)-2-methylbut-1-enyl]pyrazol-5-amine.
What is the SMILES notation for 4-methyl-1-[(Z)-2-methylbut-1-enyl]pyrazol-5-amine?
The canonical SMILES for 4-methyl-1-[(Z)-2-methylbut-1-enyl]pyrazol-5-amine is CC/C(C)=C\n1ncc(C)c1N.
What is the InChIKey of 4-methyl-1-[(Z)-2-methylbut-1-enyl]pyrazol-5-amine?
The InChIKey is CRTBDEPFWUTFBC-SREVYHEPSA-N. The full InChI is InChI=1S/C9H15N3/c1-4-7(2)6-12-9(10)8(3)5-11-12/h5-6H,4,10H2,1-3H3/b7-6-.
What are the key properties of 4-methyl-1-[(Z)-2-methylbut-1-enyl]pyrazol-5-amine?
4-methyl-1-[(Z)-2-methylbut-1-enyl]pyrazol-5-amine has a molecular weight of 165.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(Z)-2-methylbut-1-enyl]pyrazol-5-amine is sourced from PubChem (CID 146499224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).