N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide

C27H39N5O2 — CID 95349786

IUPACN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
SMILESC[C@@H]1CN(C[C@@H]2CCCN2CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C[C@H](C)O1
InChIInChI=1S/C27H39N5O2/c1-20-16-30(17-21(2)34-20)18-24-13-8-14-31(24)19-27(33)28-26-15-25(22-9-6-7-10-22)29-32(26)23-11-4-3-5-12-23/h3-5,11-12,15,20-22,24H,6-10,13-14,16-19H2,1-2H3,(H,28,33)/t20-,21+,24-/m0/s1
InChIKeyGMWHUPHPNGATAQ-IMSXRSKXSA-N
MW465.64 g/mol
LogP4.04
Rot. Bonds7

About N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide

N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide (PubChem CID 95349786) has the molecular formula C27H39N5O2 and a molecular weight of 465.64 g/mol. Its IUPAC name is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
PubChem CID95349786
Molecular FormulaC27H39N5O2
Molecular Weight465.64 g/mol
Exact Mass465.31
IUPAC NameN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
SMILESC[C@@H]1CN(C[C@@H]2CCCN2CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C[C@H](C)O1
InChIInChI=1S/C27H39N5O2/c1-20-16-30(17-21(2)34-20)18-24-13-8-14-31(24)19-27(33)28-26-15-25(22-9-6-7-10-22)29-32(26)23-11-4-3-5-12-23/h3-5,11-12,15,20-22,24H,6-10,13-14,16-19H2,1-2H3,(H,28,33)/t20-,21+,24-/m0/s1
InChIKeyGMWHUPHPNGATAQ-IMSXRSKXSA-N
XLogP4.04
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide (CID 95349786) is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide is C[C@@H]1CN(C[C@@H]2CCCN2CC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)C[C@H](C)O1.
What is the InChIKey of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide?
The InChIKey is GMWHUPHPNGATAQ-IMSXRSKXSA-N. The full InChI is InChI=1S/C27H39N5O2/c1-20-16-30(17-21(2)34-20)18-24-13-8-14-31(24)19-27(33)28-26-15-25(22-9-6-7-10-22)29-32(26)23-11-4-3-5-12-23/h3-5,11-12,15,20-22,24H,6-10,13-14,16-19H2,1-2H3,(H,28,33)/t20-,21+,24-/m0/s1.
What are the key properties of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide?
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide has a molecular weight of 465.64 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95349786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).