1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea

C14H27N5O2 — CID 111475349

IUPAC1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea
SMILESCC(C)CC(O)CNC(=O)Nc1ccn(CCN(C)C)n1
InChIInChI=1S/C14H27N5O2/c1-11(2)9-12(20)10-15-14(21)16-13-5-6-19(17-13)8-7-18(3)4/h5-6,11-12,20H,7-10H2,1-4H3,(H2,15,16,17,21)
InChIKeyNPTYIJVLPLTDPN-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.97
Rot. Bonds8

About 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea

1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea (PubChem CID 111475349) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea
PubChem CID111475349
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea
SMILESCC(C)CC(O)CNC(=O)Nc1ccn(CCN(C)C)n1
InChIInChI=1S/C14H27N5O2/c1-11(2)9-12(20)10-15-14(21)16-13-5-6-19(17-13)8-7-18(3)4/h5-6,11-12,20H,7-10H2,1-4H3,(H2,15,16,17,21)
InChIKeyNPTYIJVLPLTDPN-UHFFFAOYSA-N
XLogP0.97
TPSA82.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea (CID 111475349) is 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea is CC(C)CC(O)CNC(=O)Nc1ccn(CCN(C)C)n1.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea?
The InChIKey is NPTYIJVLPLTDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-11(2)9-12(20)10-15-14(21)16-13-5-6-19(17-13)8-7-18(3)4/h5-6,11-12,20H,7-10H2,1-4H3,(H2,15,16,17,21).
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea?
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea has a molecular weight of 297.40 g/mol, XLogP of 0.97, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea is sourced from PubChem (CID 111475349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).