N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

C19H28N4O2 — CID 75380960

IUPACN-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)C1)C1CCCc2[nH]ncc21
InChIInChI=1S/C19H28N4O2/c24-18(15-7-4-8-17-16(15)11-20-22-17)21-14-9-10-23(12-14)19(25)13-5-2-1-3-6-13/h11,13-15H,1-10,12H2,(H,20,22)(H,21,24)
InChIKeyWDTPXUJFDMXBCO-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.13
Rot. Bonds3

About N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (PubChem CID 75380960) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
PubChem CID75380960
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)C1)C1CCCc2[nH]ncc21
InChIInChI=1S/C19H28N4O2/c24-18(15-7-4-8-17-16(15)11-20-22-17)21-14-9-10-23(12-14)19(25)13-5-2-1-3-6-13/h11,13-15H,1-10,12H2,(H,20,22)(H,21,24)
InChIKeyWDTPXUJFDMXBCO-UHFFFAOYSA-N
XLogP2.13
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (CID 75380960) is N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is O=C(NC1CCN(C(=O)C2CCCCC2)C1)C1CCCc2[nH]ncc21.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The InChIKey is WDTPXUJFDMXBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-18(15-7-4-8-17-16(15)11-20-22-17)21-14-9-10-23(12-14)19(25)13-5-2-1-3-6-13/h11,13-15H,1-10,12H2,(H,20,22)(H,21,24).
What are the key properties of N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is sourced from PubChem (CID 75380960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).