(Z)-4-amino-1-[3-(4-aminopyrazol-1-yl)pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one

C14H22N6O — CID 121279682

IUPAC(Z)-4-amino-1-[3-(4-aminopyrazol-1-yl)pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one
SMILES[H]/N=C(\C=C(/N)C(C)C)C(=O)N1CCC(n2cc(N)cn2)C1
InChIInChI=1S/C14H22N6O/c1-9(2)12(16)5-13(17)14(21)19-4-3-11(8-19)20-7-10(15)6-18-20/h5-7,9,11,17H,3-4,8,15-16H2,1-2H3/b12-5-,17-13+
InChIKeyCKVYMIICZZLDBG-CMFCDENFSA-N
MW290.37 g/mol
LogP0.76
Rot. Bonds4

About (Z)-4-amino-1-[3-(4-aminopyrazol-1-yl)pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one

(Z)-4-amino-1-[3-(4-aminopyrazol-1-yl)pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one (PubChem CID 121279682) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is (Z)-4-amino-1-[3-(4-aminopyrazol-1-yl)pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one.

Molecular Properties

Compound Name(Z)-4-amino-1-[3-(4-aminopyrazol-1-yl)pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one
PubChem CID121279682
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name(Z)-4-amino-1-[3-(4-aminopyrazol-1-yl)pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one
SMILES[H]/N=C(\C=C(/N)C(C)C)C(=O)N1CCC(n2cc(N)cn2)C1
InChIInChI=1S/C14H22N6O/c1-9(2)12(16)5-13(17)14(21)19-4-3-11(8-19)20-7-10(15)6-18-20/h5-7,9,11,17H,3-4,8,15-16H2,1-2H3/b12-5-,17-13+
InChIKeyCKVYMIICZZLDBG-CMFCDENFSA-N
XLogP0.76
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 54594203
4-amino-1-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one dihydrochloride
CID 102567267
N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-2-(3-methyl-1H-pyrazol-1-YL)acetamide
CID 91923159
4-Amino-1-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 43535320
N-[(1-{2-[(1-methyl-1H-pyrazol-4-yl)amino]-2-oxoethyl}-1,2,5,6-tetrahydropyridin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 50983561
2-(4-Amino-1h-pyrazol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one
CID 28313577
(2R)-2-(4-aminopyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 28927627
2-(4-Amino-1H-pyrazol-1-yl)-1-(pyrrolidin-1-yl)propan-1-one
CID 43116748
1-[2-(4-Amino-1H-pyrazol-1-YL)ethyl]pyrrolidin-2-one
CID 62138823
2-methyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 63000333
1-[3-(4-Aminopyrazol-1-yl)propyl]pyrrolidin-2-one
CID 66765766
2-(4-Aminopyrazol-1-yl)-2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 90103878

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-1-[3-(4-aminopyrazol-1-yl)pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one?
The IUPAC name of (Z)-4-amino-1-[3-(4-aminopyrazol-1-yl)pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one (CID 121279682) is (Z)-4-amino-1-[3-(4-aminopyrazol-1-yl)pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one.
What is the SMILES notation for (Z)-4-amino-1-[3-(4-aminopyrazol-1-yl)pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one?
The canonical SMILES for (Z)-4-amino-1-[3-(4-aminopyrazol-1-yl)pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one is [H]/N=C(\C=C(/N)C(C)C)C(=O)N1CCC(n2cc(N)cn2)C1.
What is the InChIKey of (Z)-4-amino-1-[3-(4-aminopyrazol-1-yl)pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one?
The InChIKey is CKVYMIICZZLDBG-CMFCDENFSA-N. The full InChI is InChI=1S/C14H22N6O/c1-9(2)12(16)5-13(17)14(21)19-4-3-11(8-19)20-7-10(15)6-18-20/h5-7,9,11,17H,3-4,8,15-16H2,1-2H3/b12-5-,17-13+.
What are the key properties of (Z)-4-amino-1-[3-(4-aminopyrazol-1-yl)pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one?
(Z)-4-amino-1-[3-(4-aminopyrazol-1-yl)pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one has a molecular weight of 290.37 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-1-[3-(4-aminopyrazol-1-yl)pyrrolidin-1-yl]-2-imino-5-methylhex-3-en-1-one is sourced from PubChem (CID 121279682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).