1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-propylpyrazol-3-yl)urea

C16H29N5O2 — CID 125167669

IUPAC1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-propylpyrazol-3-yl)urea
SMILESCCCn1nccc1NC(=O)NC[C@@H](O)CN1CCCCCC1
InChIInChI=1S/C16H29N5O2/c1-2-9-21-15(7-8-18-21)19-16(23)17-12-14(22)13-20-10-5-3-4-6-11-20/h7-8,14,22H,2-6,9-13H2,1H3,(H2,17,19,23)/t14-/m1/s1
InChIKeyJREHOVBXYIXCDP-CQSZACIVSA-N
MW323.44 g/mol
LogP1.65
Rot. Bonds7

About 1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-propylpyrazol-3-yl)urea

1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-propylpyrazol-3-yl)urea (PubChem CID 125167669) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-propylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-propylpyrazol-3-yl)urea
PubChem CID125167669
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Name1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-propylpyrazol-3-yl)urea
SMILESCCCn1nccc1NC(=O)NC[C@@H](O)CN1CCCCCC1
InChIInChI=1S/C16H29N5O2/c1-2-9-21-15(7-8-18-21)19-16(23)17-12-14(22)13-20-10-5-3-4-6-11-20/h7-8,14,22H,2-6,9-13H2,1H3,(H2,17,19,23)/t14-/m1/s1
InChIKeyJREHOVBXYIXCDP-CQSZACIVSA-N
XLogP1.65
TPSA82.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-3-(2-propylpyrazol-3-yl)urea
CID 125169528
1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 110923508
1-(4-chlorophenyl)-3-[2-hydroxy-3-(4-propylpiperazin-1-yl)propyl]urea
CID 44527624
1-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]urea
CID 51944280
1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
CID 94169729
1-butyl-3-(2-butylpyrazol-3-yl)urea
CID 47420496
1-(2,5-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 110923525
N-[(2S)-3-(azepan-1-yl)-2-hydroxypropyl]-4-chloro-1-methylpyrazole-5-carboxamide
CID 99935183
1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(pyridin-2-ylmethyl)urea
CID 126423883
1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-propylpyrazol-3-yl)urea
CID 99839457
1-[(2S)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)urea
CID 125161646
1-[(2R)-1-hydroxy-4-methoxybutan-2-yl]-3-(2-propylpyrazol-3-yl)urea
CID 124874562

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-propylpyrazol-3-yl)urea?
The IUPAC name of 1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-propylpyrazol-3-yl)urea (CID 125167669) is 1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-propylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-propylpyrazol-3-yl)urea?
The canonical SMILES for 1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-propylpyrazol-3-yl)urea is CCCn1nccc1NC(=O)NC[C@@H](O)CN1CCCCCC1.
What is the InChIKey of 1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-propylpyrazol-3-yl)urea?
The InChIKey is JREHOVBXYIXCDP-CQSZACIVSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-2-9-21-15(7-8-18-21)19-16(23)17-12-14(22)13-20-10-5-3-4-6-11-20/h7-8,14,22H,2-6,9-13H2,1H3,(H2,17,19,23)/t14-/m1/s1.
What are the key properties of 1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-propylpyrazol-3-yl)urea?
1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-propylpyrazol-3-yl)urea has a molecular weight of 323.44 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-propylpyrazol-3-yl)urea is sourced from PubChem (CID 125167669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).