ethyl (E)-3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoate

C18H19N3O3 — CID 39191562

IUPACethyl (E)-3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(NC(=O)c2cc(C3CC3)[nH]n2)cc1
InChIInChI=1S/C18H19N3O3/c1-2-24-17(22)10-5-12-3-8-14(9-4-12)19-18(23)16-11-15(20-21-16)13-6-7-13/h3-5,8-11,13H,2,6-7H2,1H3,(H,19,23)(H,20,21)/b10-5+
InChIKeyILKSADBXKXWWMH-BJMVGYQFSA-N
MW325.37 g/mol
LogP3.12
Rot. Bonds6

About ethyl (E)-3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoate

ethyl (E)-3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoate (PubChem CID 39191562) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl (E)-3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoate
PubChem CID39191562
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Nameethyl (E)-3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(NC(=O)c2cc(C3CC3)[nH]n2)cc1
InChIInChI=1S/C18H19N3O3/c1-2-24-17(22)10-5-12-3-8-14(9-4-12)19-18(23)16-11-15(20-21-16)13-6-7-13/h3-5,8-11,13H,2,6-7H2,1H3,(H,19,23)(H,20,21)/b10-5+
InChIKeyILKSADBXKXWWMH-BJMVGYQFSA-N
XLogP3.12
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 27054357
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CID 37043755
ethyl (E)-3-[4-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]phenyl]prop-2-enoate
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CID 55759537
N-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 39154401
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CID 27901978
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CID 66931798
ethyl 3-[4-[(2-amino-2-methylpropanoyl)amino]phenyl]prop-2-enoate
CID 58866370
ethyl (E)-3-[4-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]prop-2-enoate
CID 27902482
ethyl (E)-3-[4-[(6-methoxy-2-methylquinoline-3-carbonyl)amino]phenyl]prop-2-enoate
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ethyl (E)-3-[4-(naphthalene-1-carbonylamino)phenyl]prop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoate (CID 39191562) is ethyl (E)-3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoate is CCOC(=O)/C=C/c1ccc(NC(=O)c2cc(C3CC3)[nH]n2)cc1.
What is the InChIKey of ethyl (E)-3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoate?
The InChIKey is ILKSADBXKXWWMH-BJMVGYQFSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-2-24-17(22)10-5-12-3-8-14(9-4-12)19-18(23)16-11-15(20-21-16)13-6-7-13/h3-5,8-11,13H,2,6-7H2,1H3,(H,19,23)(H,20,21)/b10-5+.
What are the key properties of ethyl (E)-3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoate?
ethyl (E)-3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoate has a molecular weight of 325.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[4-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]phenyl]prop-2-enoate is sourced from PubChem (CID 39191562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).