N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide

C19H27N5O — CID 75390241

IUPACN-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC(C)c2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C19H27N5O/c1-3-22-9-11-23(12-10-22)19(25)21-16(2)18-13-20-24(15-18)14-17-7-5-4-6-8-17/h4-8,13,15-16H,3,9-12,14H2,1-2H3,(H,21,25)
InChIKeyPXTLCBUNLVQCNI-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.34
Rot. Bonds5

About N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide

N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide (PubChem CID 75390241) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide
PubChem CID75390241
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC(C)c2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C19H27N5O/c1-3-22-9-11-23(12-10-22)19(25)21-16(2)18-13-20-24(15-18)14-17-7-5-4-6-8-17/h4-8,13,15-16H,3,9-12,14H2,1-2H3,(H,21,25)
InChIKeyPXTLCBUNLVQCNI-UHFFFAOYSA-N
XLogP2.34
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120993484
2-[(4-ethylpiperazine-1-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289072
1-[(1R)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea
CID 124854952
1-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea
CID 124854951
N-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103532
4-ethyl-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]piperazine-1-carboxamide
CID 71867499
N-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-2-(1,2-oxazol-3-yl)acetamide
CID 97244198
1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 75390022
4-ethyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-1-carboxamide
CID 71917758
4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903
1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one
CID 71304914
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide?
The IUPAC name of N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide (CID 75390241) is N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide.
What is the SMILES notation for N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide?
The canonical SMILES for N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide is CCN1CCN(C(=O)NC(C)c2cnn(Cc3ccccc3)c2)CC1.
What is the InChIKey of N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide?
The InChIKey is PXTLCBUNLVQCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-3-22-9-11-23(12-10-22)19(25)21-16(2)18-13-20-24(15-18)14-17-7-5-4-6-8-17/h4-8,13,15-16H,3,9-12,14H2,1-2H3,(H,21,25).
What are the key properties of N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide?
N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 75390241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).