1-[1-(morpholin-4-ylmethyl)cyclopentyl]-3-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]urea

C19H33N5O2 — CID 125172155

IUPAC1-[1-(morpholin-4-ylmethyl)cyclopentyl]-3-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]urea
SMILESCCC[C@H](C)n1nccc1NC(=O)NC1(CN2CCOCC2)CCCC1
InChIInChI=1S/C19H33N5O2/c1-3-6-16(2)24-17(7-10-20-24)21-18(25)22-19(8-4-5-9-19)15-23-11-13-26-14-12-23/h7,10,16H,3-6,8-9,11-15H2,1-2H3,(H2,21,22,25)/t16-/m0/s1
InChIKeyYWHWYSACDWKBCW-INIZCTEOSA-N
MW363.51 g/mol
LogP3.01
Rot. Bonds7

About 1-[1-(morpholin-4-ylmethyl)cyclopentyl]-3-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]urea

1-[1-(morpholin-4-ylmethyl)cyclopentyl]-3-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]urea (PubChem CID 125172155) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-[1-(morpholin-4-ylmethyl)cyclopentyl]-3-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[1-(morpholin-4-ylmethyl)cyclopentyl]-3-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]urea
PubChem CID125172155
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name1-[1-(morpholin-4-ylmethyl)cyclopentyl]-3-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]urea
SMILESCCC[C@H](C)n1nccc1NC(=O)NC1(CN2CCOCC2)CCCC1
InChIInChI=1S/C19H33N5O2/c1-3-6-16(2)24-17(7-10-20-24)21-18(25)22-19(8-4-5-9-19)15-23-11-13-26-14-12-23/h7,10,16H,3-6,8-9,11-15H2,1-2H3,(H2,21,22,25)/t16-/m0/s1
InChIKeyYWHWYSACDWKBCW-INIZCTEOSA-N
XLogP3.01
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methyl-4-phenylpyrazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclopentyl]urea
CID 72873567
1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclohexyl]urea
CID 46989504
1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-[(1-pyrrolidin-1-ylcyclopentyl)methyl]urea
CID 125167603
8-methyl-N-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 125157569
N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-pyrimidin-2-ylbenzamide
CID 118785028
1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea
CID 97248271
1-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 125163687
1-(2-morpholin-4-ylethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea
CID 97283704
1-(2-morpholin-4-ylethyl)-3-[2-(1-phenylethyl)pyrazol-3-yl]urea
CID 72924199
1-(morpholin-4-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 146476199
N-(2-propan-2-ylpyrazol-3-yl)morpholine-4-carboxamide
CID 47198657
(2R)-2-amino-N-(2-propan-2-ylpyrazol-3-yl)pentanamide
CID 103794002

Frequently Asked Questions

What is the IUPAC name of 1-[1-(morpholin-4-ylmethyl)cyclopentyl]-3-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]urea?
The IUPAC name of 1-[1-(morpholin-4-ylmethyl)cyclopentyl]-3-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]urea (CID 125172155) is 1-[1-(morpholin-4-ylmethyl)cyclopentyl]-3-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-[1-(morpholin-4-ylmethyl)cyclopentyl]-3-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]urea?
The canonical SMILES for 1-[1-(morpholin-4-ylmethyl)cyclopentyl]-3-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]urea is CCC[C@H](C)n1nccc1NC(=O)NC1(CN2CCOCC2)CCCC1.
What is the InChIKey of 1-[1-(morpholin-4-ylmethyl)cyclopentyl]-3-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]urea?
The InChIKey is YWHWYSACDWKBCW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-3-6-16(2)24-17(7-10-20-24)21-18(25)22-19(8-4-5-9-19)15-23-11-13-26-14-12-23/h7,10,16H,3-6,8-9,11-15H2,1-2H3,(H2,21,22,25)/t16-/m0/s1.
What are the key properties of 1-[1-(morpholin-4-ylmethyl)cyclopentyl]-3-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]urea?
1-[1-(morpholin-4-ylmethyl)cyclopentyl]-3-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]urea has a molecular weight of 363.51 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(morpholin-4-ylmethyl)cyclopentyl]-3-[2-[(2S)-pentan-2-yl]pyrazol-3-yl]urea is sourced from PubChem (CID 125172155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).