2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid

C14H22N4O3 — CID 82873513

IUPAC2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
SMILESCn1ccc(CNC(=O)NC2CCCCCC2C(=O)O)n1
InChIInChI=1S/C14H22N4O3/c1-18-8-7-10(17-18)9-15-14(21)16-12-6-4-2-3-5-11(12)13(19)20/h7-8,11-12H,2-6,9H2,1H3,(H,19,20)(H2,15,16,21)
InChIKeyRHSRDXXCNDTBRN-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.25
Rot. Bonds4

About 2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid

2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid (PubChem CID 82873513) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
PubChem CID82873513
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
SMILESCn1ccc(CNC(=O)NC2CCCCCC2C(=O)O)n1
InChIInChI=1S/C14H22N4O3/c1-18-8-7-10(17-18)9-15-14(21)16-12-6-4-2-3-5-11(12)13(19)20/h7-8,11-12H,2-6,9H2,1H3,(H,19,20)(H2,15,16,21)
InChIKeyRHSRDXXCNDTBRN-UHFFFAOYSA-N
XLogP1.25
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 82872608
cis-(1S,2R)-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106104131
1-[(1-methylpyrazol-3-yl)methylcarbamoyl]azepane-2-carboxylic acid
CID 82873458
2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815607
5-[[(1-methylpyrazol-3-yl)methylcarbamoylamino]methyl]oxolane-2-carboxylic acid
CID 82874206
2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106005548
1-amino-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide
CID 82873363
2-[(1-methylpyrazol-3-yl)methylamino]cyclohexan-1-ol
CID 78967242
2-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 82873603
1-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 82873969
N-[(1-methylpyrazol-3-yl)methyl]azepane-2-carboxamide
CID 82873870
2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64817088

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid (CID 82873513) is 2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid is Cn1ccc(CNC(=O)NC2CCCCCC2C(=O)O)n1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid?
The InChIKey is RHSRDXXCNDTBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-18-8-7-10(17-18)9-15-14(21)16-12-6-4-2-3-5-11(12)13(19)20/h7-8,11-12H,2-6,9H2,1H3,(H,19,20)(H2,15,16,21).
What are the key properties of 2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid?
2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 82873513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).