N-(1-benzylpyrazol-4-yl)-4-(2-hydroxyethyl)piperazine-1-carboxamide

C17H23N5O2 — CID 71916537

IUPACN-(1-benzylpyrazol-4-yl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)N1CCN(CCO)CC1
InChIInChI=1S/C17H23N5O2/c23-11-10-20-6-8-21(9-7-20)17(24)19-16-12-18-22(14-16)13-15-4-2-1-3-5-15/h1-5,12,14,23H,6-11,13H2,(H,19,24)
InChIKeyQNPOTIAPPRHGJK-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.07
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-4-(2-hydroxyethyl)piperazine-1-carboxamide

N-(1-benzylpyrazol-4-yl)-4-(2-hydroxyethyl)piperazine-1-carboxamide (PubChem CID 71916537) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-4-(2-hydroxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
PubChem CID71916537
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-(1-benzylpyrazol-4-yl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)N1CCN(CCO)CC1
InChIInChI=1S/C17H23N5O2/c23-11-10-20-6-8-21(9-7-20)17(24)19-16-12-18-22(14-16)13-15-4-2-1-3-5-15/h1-5,12,14,23H,6-11,13H2,(H,19,24)
InChIKeyQNPOTIAPPRHGJK-UHFFFAOYSA-N
XLogP1.07
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-4-(2-hydroxyethyl)piperazine-1-carboxamide (CID 71916537) is N-(1-benzylpyrazol-4-yl)-4-(2-hydroxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-4-(2-hydroxyethyl)piperazine-1-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)N1CCN(CCO)CC1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The InChIKey is QNPOTIAPPRHGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c23-11-10-20-6-8-21(9-7-20)17(24)19-16-12-18-22(14-16)13-15-4-2-1-3-5-15/h1-5,12,14,23H,6-11,13H2,(H,19,24).
What are the key properties of N-(1-benzylpyrazol-4-yl)-4-(2-hydroxyethyl)piperazine-1-carboxamide?
N-(1-benzylpyrazol-4-yl)-4-(2-hydroxyethyl)piperazine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-4-(2-hydroxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 71916537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).