1-(1-methyl-4-phenylpyrazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclopentyl]urea

C21H29N5O2 — CID 72873567

IUPAC1-(1-methyl-4-phenylpyrazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclopentyl]urea
SMILESCn1ncc(-c2ccccc2)c1NC(=O)NC1(CN2CCOCC2)CCCC1
InChIInChI=1S/C21H29N5O2/c1-25-19(18(15-22-25)17-7-3-2-4-8-17)23-20(27)24-21(9-5-6-10-21)16-26-11-13-28-14-12-26/h2-4,7-8,15H,5-6,9-14,16H2,1H3,(H2,23,24,27)
InChIKeyIEFNWVJCKYESEA-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.85
Rot. Bonds5

About 1-(1-methyl-4-phenylpyrazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclopentyl]urea

1-(1-methyl-4-phenylpyrazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclopentyl]urea (PubChem CID 72873567) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-(1-methyl-4-phenylpyrazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclopentyl]urea.

Molecular Properties

Compound Name1-(1-methyl-4-phenylpyrazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclopentyl]urea
PubChem CID72873567
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name1-(1-methyl-4-phenylpyrazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclopentyl]urea
SMILESCn1ncc(-c2ccccc2)c1NC(=O)NC1(CN2CCOCC2)CCCC1
InChIInChI=1S/C21H29N5O2/c1-25-19(18(15-22-25)17-7-3-2-4-8-17)23-20(27)24-21(9-5-6-10-21)16-26-11-13-28-14-12-26/h2-4,7-8,15H,5-6,9-14,16H2,1H3,(H2,23,24,27)
InChIKeyIEFNWVJCKYESEA-UHFFFAOYSA-N
XLogP2.85
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-tert-butyl-4-phenylpyrazol-5-yl)-3-(2-morpholin-4-ylethyl)urea
CID 118791224
1-[1-(morpholin-4-ylmethyl)cyclopentyl]-3-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]urea
CID 125172155
1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclohexyl]urea
CID 46989504
N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-pyrimidin-2-ylbenzamide
CID 118785028
3-(3-hydroxy-2-pyridinyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzamide
CID 119073818
4-chloro-1-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]pyrazole-5-carboxamide
CID 77095105
methyl 3-[[1-(2-morpholin-4-ylethyl)-4-phenylpyrazol-5-yl]amino]pyridine-4-carboxylate
CID 118969838
1-(2-hydroxyethyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzimidazole-5-carboxamide
CID 74232760
5-fluoro-1-methyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]indole-2-carboxamide
CID 77095932
N-(1-tert-butyl-4-phenylpyrazol-5-yl)oxane-4-carboxamide
CID 134712105
3-[4-[4-[1-methyl-5-(1-phenylethoxycarbonylamino)pyrazol-4-yl]phenyl]phenyl]oxetane-3-carboxylic acid
CID 70819452
1-(1-benzylcyclopentyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 75521844

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-4-phenylpyrazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclopentyl]urea?
The IUPAC name of 1-(1-methyl-4-phenylpyrazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclopentyl]urea (CID 72873567) is 1-(1-methyl-4-phenylpyrazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclopentyl]urea.
What is the SMILES notation for 1-(1-methyl-4-phenylpyrazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclopentyl]urea?
The canonical SMILES for 1-(1-methyl-4-phenylpyrazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclopentyl]urea is Cn1ncc(-c2ccccc2)c1NC(=O)NC1(CN2CCOCC2)CCCC1.
What is the InChIKey of 1-(1-methyl-4-phenylpyrazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclopentyl]urea?
The InChIKey is IEFNWVJCKYESEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-25-19(18(15-22-25)17-7-3-2-4-8-17)23-20(27)24-21(9-5-6-10-21)16-26-11-13-28-14-12-26/h2-4,7-8,15H,5-6,9-14,16H2,1H3,(H2,23,24,27).
What are the key properties of 1-(1-methyl-4-phenylpyrazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclopentyl]urea?
1-(1-methyl-4-phenylpyrazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclopentyl]urea has a molecular weight of 383.50 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-4-phenylpyrazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclopentyl]urea is sourced from PubChem (CID 72873567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).