ethyl 5-[[2-[cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-1-methylpyrazole-4-carboxylate

C23H29N5O4 — CID 56540934

IUPACethyl 5-[[2-[cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)CN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1
InChIInChI=1S/C23H29N5O4/c1-3-32-23(31)19-12-24-27(2)21(19)26-20(29)14-28(18-10-11-18)13-15-4-6-16(7-5-15)22(30)25-17-8-9-17/h4-7,12,17-18H,3,8-11,13-14H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyJCGPPHZNCSYBFY-UHFFFAOYSA-N
MW439.52 g/mol
LogP2.09
Rot. Bonds10

About ethyl 5-[[2-[cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-1-methylpyrazole-4-carboxylate

ethyl 5-[[2-[cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-1-methylpyrazole-4-carboxylate (PubChem CID 56540934) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is ethyl 5-[[2-[cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-[cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-1-methylpyrazole-4-carboxylate
PubChem CID56540934
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC Nameethyl 5-[[2-[cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)CN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1
InChIInChI=1S/C23H29N5O4/c1-3-32-23(31)19-12-24-27(2)21(19)26-20(29)14-28(18-10-11-18)13-15-4-6-16(7-5-15)22(30)25-17-8-9-17/h4-7,12,17-18H,3,8-11,13-14H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyJCGPPHZNCSYBFY-UHFFFAOYSA-N
XLogP2.09
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 56541025
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CID 56578952
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CID 108761488
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CID 110459593
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CID 110480553
ethyl 1-methyl-5-[[2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetyl]amino]pyrazole-4-carboxylate
CID 56541036
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CID 78847973
ethyl 5-[(3,4-dichlorobenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761476
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
ethyl 5-[[2-[(5-bromothiophen-3-yl)methyl-methylamino]acetyl]amino]-1-methylpyrazole-4-carboxylate
CID 56578790
N-cyclopropyl-4-[[cyclopropyl-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]amino]methyl]benzamide
CID 46594516
ethyl 5-[[cyclopropyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116631754

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-[cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[2-[cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-1-methylpyrazole-4-carboxylate (CID 56540934) is ethyl 5-[[2-[cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[2-[cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[2-[cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1NC(=O)CN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1.
What is the InChIKey of ethyl 5-[[2-[cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-1-methylpyrazole-4-carboxylate?
The InChIKey is JCGPPHZNCSYBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-3-32-23(31)19-12-24-27(2)21(19)26-20(29)14-28(18-10-11-18)13-15-4-6-16(7-5-15)22(30)25-17-8-9-17/h4-7,12,17-18H,3,8-11,13-14H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of ethyl 5-[[2-[cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-1-methylpyrazole-4-carboxylate?
ethyl 5-[[2-[cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-1-methylpyrazole-4-carboxylate has a molecular weight of 439.52 g/mol, XLogP of 2.09, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-[cyclopropyl-[[4-(cyclopropylcarbamoyl)phenyl]methyl]amino]acetyl]amino]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 56540934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).