(Z)-3-(5-amino-1-methylpyrazol-4-yl)prop-2-ene-1,2-diamine;ethane

C9H19N5 — CID 165403020

IUPAC(Z)-3-(5-amino-1-methylpyrazol-4-yl)prop-2-ene-1,2-diamine;ethane
SMILESCC.Cn1ncc(/C=C(\N)CN)c1N
InChIInChI=1S/C7H13N5.C2H6/c1-12-7(10)5(4-11-12)2-6(9)3-8;1-2/h2,4H,3,8-10H2,1H3;1-2H3/b6-2-;
InChIKeyNQRWSTMRIQBRIJ-FHERWMFHSA-N
MW197.29 g/mol
LogP0.29
Rot. Bonds2

About (Z)-3-(5-amino-1-methylpyrazol-4-yl)prop-2-ene-1,2-diamine;ethane

(Z)-3-(5-amino-1-methylpyrazol-4-yl)prop-2-ene-1,2-diamine;ethane (PubChem CID 165403020) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is (Z)-3-(5-amino-1-methylpyrazol-4-yl)prop-2-ene-1,2-diamine;ethane.

Molecular Properties

Compound Name(Z)-3-(5-amino-1-methylpyrazol-4-yl)prop-2-ene-1,2-diamine;ethane
PubChem CID165403020
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name(Z)-3-(5-amino-1-methylpyrazol-4-yl)prop-2-ene-1,2-diamine;ethane
SMILESCC.Cn1ncc(/C=C(\N)CN)c1N
InChIInChI=1S/C7H13N5.C2H6/c1-12-7(10)5(4-11-12)2-6(9)3-8;1-2/h2,4H,3,8-10H2,1H3;1-2H3/b6-2-;
InChIKeyNQRWSTMRIQBRIJ-FHERWMFHSA-N
XLogP0.29
TPSA95.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-amino-1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 67989264
6-(3-amino-1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 67989290
1-[(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-yl]pyrazol-3-amine
CID 89178782
1-[(3Z,5Z)-5-(aminomethylidene)hepta-1,3-dien-2-yl]pyrazol-3-amine
CID 89179239
6-(1-Methylpyrazol-4-yl)-1,4-dihydropyrimidine
CID 90884896
1-methyl-6H-pyrazolo[5,4-b]azepine
CID 123366036
1-Methyl-4-pent-1-enylpyrazol-5-amine
CID 123377825
1-(5-Methylimino-2-prop-1-enylpent-2-enyl)pyrazole-4,5-diamine
CID 123474685
Ethane;1-methyl-6,7-dihydropyrazolo[5,4-b]pyridine
CID 143402529
5-amino-1-[(1E,3Z)-1-aminohexa-1,3-dien-2-yl]pyrazole-4-carbonitrile
CID 143843824
potassium methyl-[1-methyl-4-[(Z)-prop-1-enyl]pyrazol-3-yl]azanide
CID 145047383
4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpyrazol-5-amine
CID 145048729

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(5-amino-1-methylpyrazol-4-yl)prop-2-ene-1,2-diamine;ethane?
The IUPAC name of (Z)-3-(5-amino-1-methylpyrazol-4-yl)prop-2-ene-1,2-diamine;ethane (CID 165403020) is (Z)-3-(5-amino-1-methylpyrazol-4-yl)prop-2-ene-1,2-diamine;ethane.
What is the SMILES notation for (Z)-3-(5-amino-1-methylpyrazol-4-yl)prop-2-ene-1,2-diamine;ethane?
The canonical SMILES for (Z)-3-(5-amino-1-methylpyrazol-4-yl)prop-2-ene-1,2-diamine;ethane is CC.Cn1ncc(/C=C(\N)CN)c1N.
What is the InChIKey of (Z)-3-(5-amino-1-methylpyrazol-4-yl)prop-2-ene-1,2-diamine;ethane?
The InChIKey is NQRWSTMRIQBRIJ-FHERWMFHSA-N. The full InChI is InChI=1S/C7H13N5.C2H6/c1-12-7(10)5(4-11-12)2-6(9)3-8;1-2/h2,4H,3,8-10H2,1H3;1-2H3/b6-2-;.
What are the key properties of (Z)-3-(5-amino-1-methylpyrazol-4-yl)prop-2-ene-1,2-diamine;ethane?
(Z)-3-(5-amino-1-methylpyrazol-4-yl)prop-2-ene-1,2-diamine;ethane has a molecular weight of 197.29 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-amino-1-methylpyrazol-4-yl)prop-2-ene-1,2-diamine;ethane is sourced from PubChem (CID 165403020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).