4-(3-chloro-2-pyridinyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide

C16H21ClN6O2 — CID 47076609

IUPAC4-(3-chloro-2-pyridinyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide
SMILESCOCCn1cc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cn1
InChIInChI=1S/C16H21ClN6O2/c1-25-10-9-23-12-13(11-19-23)20-16(24)22-7-5-21(6-8-22)15-14(17)3-2-4-18-15/h2-4,11-12H,5-10H2,1H3,(H,20,24)
InChIKeyONAVEUUYNCGAIL-UHFFFAOYSA-N
MW364.84 g/mol
LogP1.93
Rot. Bonds5

About 4-(3-chloro-2-pyridinyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide

4-(3-chloro-2-pyridinyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide (PubChem CID 47076609) has the molecular formula C16H21ClN6O2 and a molecular weight of 364.84 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide
PubChem CID47076609
Molecular FormulaC16H21ClN6O2
Molecular Weight364.84 g/mol
Exact Mass364.14
IUPAC Name4-(3-chloro-2-pyridinyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide
SMILESCOCCn1cc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cn1
InChIInChI=1S/C16H21ClN6O2/c1-25-10-9-23-12-13(11-19-23)20-16(24)22-7-5-21(6-8-22)15-14(17)3-2-4-18-15/h2-4,11-12H,5-10H2,1H3,(H,20,24)
InChIKeyONAVEUUYNCGAIL-UHFFFAOYSA-N
XLogP1.93
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-acetylphenyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide
CID 55835475
2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 61052437
(3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81118704
3-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 66482554
(2S,6S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 94156989
4-(3-chloro-2-pyridinyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 47075750
4-[2-(4-hydroxyphenyl)ethyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 55835858
4-(3-chloro-2-pyridinyl)-N-[4-(difluoromethyl)phenyl]piperazine-1-carboxamide
CID 21037631
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
4-(3-chloro-2-pyridinyl)-N-[4-(4-hydroxyoxan-4-yl)phenyl]piperazine-1-carboxamide
CID 142110737
N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazole-1-carboxamide
CID 81257970
2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 51105702

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide (CID 47076609) is 4-(3-chloro-2-pyridinyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide is COCCn1cc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cn1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide?
The InChIKey is ONAVEUUYNCGAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6O2/c1-25-10-9-23-12-13(11-19-23)20-16(24)22-7-5-21(6-8-22)15-14(17)3-2-4-18-15/h2-4,11-12H,5-10H2,1H3,(H,20,24).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide?
4-(3-chloro-2-pyridinyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide has a molecular weight of 364.84 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 47076609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).