potassium methyl-[1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]azanide

C8H12KN3 — CID 145047383

IUPACpotassium methyl-[1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]azanide
SMILESC/C=C\c1cn(C)nc1[N-]C.[K+]
InChIInChI=1S/C8H12N3.K/c1-4-5-7-6-11(3)10-8(7)9-2;/h4-6H,1-3H3;/q-1;+1/b5-4-;
InChIKeyGOXSTQVSCKYGAH-MKWAYWHRSA-N
MW189.30 g/mol
LogP-0.91
Rot. Bonds2

About potassium methyl-[1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]azanide

potassium methyl-[1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]azanide (PubChem CID 145047383) has the molecular formula C8H12KN3 and a molecular weight of 189.30 g/mol. Its IUPAC name is potassium methyl-[1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]azanide.

Molecular Properties

Compound Namepotassium methyl-[1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]azanide
PubChem CID145047383
Molecular FormulaC8H12KN3
Molecular Weight189.30 g/mol
Exact Mass189.07
IUPAC Namepotassium methyl-[1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]azanide
SMILESC/C=C\c1cn(C)nc1[N-]C.[K+]
InChIInChI=1S/C8H12N3.K/c1-4-5-7-6-11(3)10-8(7)9-2;/h4-6H,1-3H3;/q-1;+1/b5-4-;
InChIKeyGOXSTQVSCKYGAH-MKWAYWHRSA-N
XLogP-0.91
TPSA31.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 5-0.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-difluoroethyl)-4-[(E)-prop-1-enyl]pyrazole
CID 132036005
3-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole
CID 155335254
N,N-diethyl-4-[(1E,3Z)-3-(1-fluoroethyl)-2-methylhexa-1,3,5-trienyl]-1-methylpyrazol-3-amine
CID 166689126
1-methyl-4-[(E)-prop-1-enyl]pyrazole
CID 67952496
1-Methyl-4-prop-1-enylpyrazole
CID 77437449
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpyrazole
CID 87095981
4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methylpyrazole
CID 118951928
4-[(E)-but-1-enyl]-1-methylpyrazole
CID 121278060
1-methyl-6H-pyrazolo[5,4-b]azepine
CID 123366036
1-Methyl-4-pent-1-enylpyrazol-5-amine
CID 123377825
1-Methyl-4-(4-methylidenehepta-2,5-dien-2-yl)pyrazole
CID 123505775
1-Methyl-4-penta-1,3-dien-3-ylpyrazole
CID 123742620

Frequently Asked Questions

What is the IUPAC name of potassium methyl-[1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]azanide?
The IUPAC name of potassium methyl-[1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]azanide (CID 145047383) is potassium methyl-[1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]azanide.
What is the SMILES notation for potassium methyl-[1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]azanide?
The canonical SMILES for potassium methyl-[1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]azanide is C/C=C\c1cn(C)nc1[N-]C.[K+].
What is the InChIKey of potassium methyl-[1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]azanide?
The InChIKey is GOXSTQVSCKYGAH-MKWAYWHRSA-N. The full InChI is InChI=1S/C8H12N3.K/c1-4-5-7-6-11(3)10-8(7)9-2;/h4-6H,1-3H3;/q-1;+1/b5-4-;.
What are the key properties of potassium methyl-[1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]azanide?
potassium methyl-[1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]azanide has a molecular weight of 189.30 g/mol, XLogP of -0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium methyl-[1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]azanide is sourced from PubChem (CID 145047383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).