1-[[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

C14H21N3O3 — CID 115449376

IUPAC1-[[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCn1nc(C(C)C)cc1C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C14H21N3O3/c1-4-17-11(7-10(16-17)9(2)3)12(18)15-8-14(5-6-14)13(19)20/h7,9H,4-6,8H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyQIYUVVXYEZSCEA-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.62
Rot. Bonds6

About 1-[[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449376) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115449376
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCn1nc(C(C)C)cc1C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C14H21N3O3/c1-4-17-11(7-10(16-17)9(2)3)12(18)15-8-14(5-6-14)13(19)20/h7,9H,4-6,8H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyQIYUVVXYEZSCEA-UHFFFAOYSA-N
XLogP1.62
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

1-ethyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 107301962
ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 176998703
1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449752
3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid
CID 43360868
3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]oxolane-3-carboxylic acid
CID 64889563
(2S,3R)-2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxybutanoic acid
CID 104965026
2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxybutanoic acid
CID 43170287
N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 106164346
1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 111483892
2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357745
N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 66171515
1-ethyl-3-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide
CID 103726195

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115449376) is 1-[[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is CCn1nc(C(C)C)cc1C(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is QIYUVVXYEZSCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-17-11(7-10(16-17)9(2)3)12(18)15-8-14(5-6-14)13(19)20/h7,9H,4-6,8H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 1-[[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).