1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea

C18H25N5O2 — CID 51082854

IUPAC1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1cccn1)NC(=O)NCc1ccnc(OC2CCCC2)c1
InChIInChI=1S/C18H25N5O2/c1-14(13-23-10-4-8-21-23)22-18(24)20-12-15-7-9-19-17(11-15)25-16-5-2-3-6-16/h4,7-11,14,16H,2-3,5-6,12-13H2,1H3,(H2,20,22,24)
InChIKeyFGPDJCARRTZEGC-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.49
Rot. Bonds7

About 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea

1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea (PubChem CID 51082854) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
PubChem CID51082854
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
SMILESCC(Cn1cccn1)NC(=O)NCc1ccnc(OC2CCCC2)c1
InChIInChI=1S/C18H25N5O2/c1-14(13-23-10-4-8-21-23)22-18(24)20-12-15-7-9-19-17(11-15)25-16-5-2-3-6-16/h4,7-11,14,16H,2-3,5-6,12-13H2,1H3,(H2,20,22,24)
InChIKeyFGPDJCARRTZEGC-UHFFFAOYSA-N
XLogP2.49
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The IUPAC name of 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea (CID 51082854) is 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea.
What is the SMILES notation for 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The canonical SMILES for 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea is CC(Cn1cccn1)NC(=O)NCc1ccnc(OC2CCCC2)c1.
What is the InChIKey of 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
The InChIKey is FGPDJCARRTZEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14(13-23-10-4-8-21-23)22-18(24)20-12-15-7-9-19-17(11-15)25-16-5-2-3-6-16/h4,7-11,14,16H,2-3,5-6,12-13H2,1H3,(H2,20,22,24).
What are the key properties of 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea?
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea has a molecular weight of 343.43 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea is sourced from PubChem (CID 51082854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).