N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-5-phenylpyrazolidine-3-carboxamide

C22H31N7O3 — CID 75355259

IUPACN-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-5-phenylpyrazolidine-3-carboxamide
SMILESCOc1nn(C)cc1C(=O)N1CCN(CCNC(=O)C2CC(c3ccccc3)NN2)CC1
InChIInChI=1S/C22H31N7O3/c1-27-15-17(21(26-27)32-2)22(31)29-12-10-28(11-13-29)9-8-23-20(30)19-14-18(24-25-19)16-6-4-3-5-7-16/h3-7,15,18-19,24-25H,8-14H2,1-2H3,(H,23,30)
InChIKeyLMUXNWNMKPXNQL-UHFFFAOYSA-N
MW441.54 g/mol
LogP-0.09
Rot. Bonds7

About N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-5-phenylpyrazolidine-3-carboxamide

N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-5-phenylpyrazolidine-3-carboxamide (PubChem CID 75355259) has the molecular formula C22H31N7O3 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-5-phenylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-5-phenylpyrazolidine-3-carboxamide
PubChem CID75355259
Molecular FormulaC22H31N7O3
Molecular Weight441.54 g/mol
Exact Mass441.25
IUPAC NameN-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-5-phenylpyrazolidine-3-carboxamide
SMILESCOc1nn(C)cc1C(=O)N1CCN(CCNC(=O)C2CC(c3ccccc3)NN2)CC1
InChIInChI=1S/C22H31N7O3/c1-27-15-17(21(26-27)32-2)22(31)29-12-10-28(11-13-29)9-8-23-20(30)19-14-18(24-25-19)16-6-4-3-5-7-16/h3-7,15,18-19,24-25H,8-14H2,1-2H3,(H,23,30)
InChIKeyLMUXNWNMKPXNQL-UHFFFAOYSA-N
XLogP-0.09
TPSA103.76 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-morpholin-4-ylethyl)-5-phenylpyrazolidine-3-carboxamide
CID 74653698
N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-2-oxo-3H-pyridine-3-carboxamide
CID 75355255
(3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 155954055
[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 51897908
5-(4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrazolidine-3-carboxamide
CID 134080957
5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide
CID 75272192
N-ethyl-5-phenylpyrazolidine-3-carboxamide
CID 73487890
[4-(2-hydroxypropyl)piperazin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 71783270
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 40805287
N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide
CID 134064167
(3-methoxy-1-methylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 16925251
1-(furan-2-yl)-2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethanone;oxalic acid
CID 71780727

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-5-phenylpyrazolidine-3-carboxamide?
The IUPAC name of N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-5-phenylpyrazolidine-3-carboxamide (CID 75355259) is N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-5-phenylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-5-phenylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-5-phenylpyrazolidine-3-carboxamide is COc1nn(C)cc1C(=O)N1CCN(CCNC(=O)C2CC(c3ccccc3)NN2)CC1.
What is the InChIKey of N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-5-phenylpyrazolidine-3-carboxamide?
The InChIKey is LMUXNWNMKPXNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O3/c1-27-15-17(21(26-27)32-2)22(31)29-12-10-28(11-13-29)9-8-23-20(30)19-14-18(24-25-19)16-6-4-3-5-7-16/h3-7,15,18-19,24-25H,8-14H2,1-2H3,(H,23,30).
What are the key properties of N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-5-phenylpyrazolidine-3-carboxamide?
N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-5-phenylpyrazolidine-3-carboxamide has a molecular weight of 441.54 g/mol, XLogP of -0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethyl]-5-phenylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75355259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).