N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide

C23H30N6O2 — CID 24790648

IUPACN-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
SMILESCCn1cc(CN2CCC(n3nccc3NC(=O)C(OC)c3ccccc3)CC2)cn1
InChIInChI=1S/C23H30N6O2/c1-3-28-17-18(15-25-28)16-27-13-10-20(11-14-27)29-21(9-12-24-29)26-23(30)22(31-2)19-7-5-4-6-8-19/h4-9,12,15,17,20,22H,3,10-11,13-14,16H2,1-2H3,(H,26,30)
InChIKeyJPSMTLQDFHECRZ-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.26
Rot. Bonds8

About N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide

N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide (PubChem CID 24790648) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
PubChem CID24790648
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC NameN-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
SMILESCCn1cc(CN2CCC(n3nccc3NC(=O)C(OC)c3ccccc3)CC2)cn1
InChIInChI=1S/C23H30N6O2/c1-3-28-17-18(15-25-28)16-27-13-10-20(11-14-27)29-21(9-12-24-29)26-23(30)22(31-2)19-7-5-4-6-8-19/h4-9,12,15,17,20,22H,3,10-11,13-14,16H2,1-2H3,(H,26,30)
InChIKeyJPSMTLQDFHECRZ-UHFFFAOYSA-N
XLogP3.26
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide (CID 24790648) is N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide is CCn1cc(CN2CCC(n3nccc3NC(=O)C(OC)c3ccccc3)CC2)cn1.
What is the InChIKey of N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The InChIKey is JPSMTLQDFHECRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-3-28-17-18(15-25-28)16-27-13-10-20(11-14-27)29-21(9-12-24-29)26-23(30)22(31-2)19-7-5-4-6-8-19/h4-9,12,15,17,20,22H,3,10-11,13-14,16H2,1-2H3,(H,26,30).
What are the key properties of N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide has a molecular weight of 422.53 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 24790648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).