(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide

C21H31N5 — CID 169170079

IUPAC(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide
SMILESC/C=C\C(=N/C(=C/CC)N1CCC(C2CC2)C1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C21H31N5/c1-3-5-19(22-20-13-18(24-25-20)16-9-10-16)23-21(6-4-2)26-12-11-17(14-26)15-7-8-15/h3,5-6,13,15-17H,4,7-12,14H2,1-2H3,(H2,22,23,24,25)/b5-3-,21-6-
InChIKeyABRZBZDXJOFLAD-NDUAUQOWSA-N
MW353.51 g/mol
LogP4.66
Rot. Bonds7

About (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide

(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide (PubChem CID 169170079) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide
PubChem CID169170079
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC Name(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide
SMILESC/C=C\C(=N/C(=C/CC)N1CCC(C2CC2)C1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C21H31N5/c1-3-5-19(22-20-13-18(24-25-20)16-9-10-16)23-21(6-4-2)26-12-11-17(14-26)15-7-8-15/h3,5-6,13,15-17H,4,7-12,14H2,1-2H3,(H2,22,23,24,25)/b5-3-,21-6-
InChIKeyABRZBZDXJOFLAD-NDUAUQOWSA-N
XLogP4.66
TPSA56.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.66
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide?
The IUPAC name of (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide (CID 169170079) is (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide.
What is the SMILES notation for (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide?
The canonical SMILES for (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide is C/C=C\C(=N/C(=C/CC)N1CCC(C2CC2)C1)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide?
The InChIKey is ABRZBZDXJOFLAD-NDUAUQOWSA-N. The full InChI is InChI=1S/C21H31N5/c1-3-5-19(22-20-13-18(24-25-20)16-9-10-16)23-21(6-4-2)26-12-11-17(14-26)15-7-8-15/h3,5-6,13,15-17H,4,7-12,14H2,1-2H3,(H2,22,23,24,25)/b5-3-,21-6-.
What are the key properties of (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide?
(Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide has a molecular weight of 353.51 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-N'-[(E)-1-(3-cyclopropylpyrrolidin-1-yl)but-1-enyl]but-2-enimidamide is sourced from PubChem (CID 169170079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).