3-cyclopropyl-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide

C12H17N5 — CID 123489750

IUPAC3-cyclopropyl-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(/C=C/C)[nH]n1)C1CC1
InChIInChI=1S/C12H17N5/c1-2-3-9-6-12(17-16-9)15-11(14)7-10(13)8-4-5-8/h2-3,6,8,13H,4-5,7H2,1H3,(H3,14,15,16,17)/b3-2+,13-10-
InChIKeyWWQFKCKUIYFNDR-GWGPODMJSA-N
MW231.30 g/mol
LogP2.25
Rot. Bonds5

About 3-cyclopropyl-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide

3-cyclopropyl-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide (PubChem CID 123489750) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-cyclopropyl-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide.

Molecular Properties

Compound Name3-cyclopropyl-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
PubChem CID123489750
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-cyclopropyl-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(/C=C/C)[nH]n1)C1CC1
InChIInChI=1S/C12H17N5/c1-2-3-9-6-12(17-16-9)15-11(14)7-10(13)8-4-5-8/h2-3,6,8,13H,4-5,7H2,1H3,(H3,14,15,16,17)/b3-2+,13-10-
InChIKeyWWQFKCKUIYFNDR-GWGPODMJSA-N
XLogP2.25
TPSA90.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-amino-N'-(5-cyclopropyl-1H-pyrazol-3-yl)prop-2-enimidamide
CID 89510105
N'-(3,4-dihydropyridin-4-ylmethyl)-6-ethyl-4-methyl-5-[(E)-2-(6-methylcyclohepta-1,4,6-trien-1-yl)ethenyl]-8-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]imino]non-5-enimidamide
CID 91321430
3-cyclopropyl-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide
CID 123150480
(4E)-3-methyl-6,7-dihydro-2H-pyrazolo[3,4-b]azocin-8-amine
CID 123219478
3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-3-(1,2,3,6-tetrahydropyridin-4-yl)propanimidamide
CID 123281025
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopentanimidamide
CID 123298373
3-cyclopropyl-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
CID 123323472
(Z)-N-(1-chloro-2-methylbut-1-enyl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)but-2-enimidamide
CID 123365736
4-methyl-N-(5-methyl-1H-pyrazol-3-yl)cyclohex-2-en-1-imine
CID 123512232
3-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-1-N'-[2-(dimethylamino)ethyl]propanediimidamide
CID 123562785
3-N'-propan-2-yl-1-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide
CID 123660200
3-cyclobutyl-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-iminopropanimidamide
CID 123731966

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The IUPAC name of 3-cyclopropyl-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide (CID 123489750) is 3-cyclopropyl-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide.
What is the SMILES notation for 3-cyclopropyl-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The canonical SMILES for 3-cyclopropyl-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide is [H]/N=C(/C/C(N)=N/c1cc(/C=C/C)[nH]n1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The InChIKey is WWQFKCKUIYFNDR-GWGPODMJSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-3-9-6-12(17-16-9)15-11(14)7-10(13)8-4-5-8/h2-3,6,8,13H,4-5,7H2,1H3,(H3,14,15,16,17)/b3-2+,13-10-.
What are the key properties of 3-cyclopropyl-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
3-cyclopropyl-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide has a molecular weight of 231.30 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide is sourced from PubChem (CID 123489750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).