1-(1-adamantyl)-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]urea

C21H31N5O3 — CID 19449716

IUPAC1-(1-adamantyl)-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]urea
SMILESCCn1ncc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1C(=O)N1CCOCC1
InChIInChI=1S/C21H31N5O3/c1-2-26-18(19(27)25-3-5-29-6-4-25)17(13-22-26)23-20(28)24-21-10-14-7-15(11-21)9-16(8-14)12-21/h13-16H,2-12H2,1H3,(H2,23,24,28)
InChIKeyUQJSOGBRSHMKQN-UHFFFAOYSA-N
MW401.51 g/mol
LogP2.47
Rot. Bonds4

About 1-(1-adamantyl)-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]urea

1-(1-adamantyl)-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]urea (PubChem CID 19449716) has the molecular formula C21H31N5O3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]urea
PubChem CID19449716
Molecular FormulaC21H31N5O3
Molecular Weight401.51 g/mol
Exact Mass401.24
IUPAC Name1-(1-adamantyl)-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]urea
SMILESCCn1ncc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1C(=O)N1CCOCC1
InChIInChI=1S/C21H31N5O3/c1-2-26-18(19(27)25-3-5-29-6-4-25)17(13-22-26)23-20(28)24-21-10-14-7-15(11-21)9-16(8-14)12-21/h13-16H,2-12H2,1H3,(H2,23,24,28)
InChIKeyUQJSOGBRSHMKQN-UHFFFAOYSA-N
XLogP2.47
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496360
2-chloro-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338846
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-4-methoxybenzamide
CID 19338897
4,5-dibromo-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 19338922
3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338842
3-[4-[[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471371
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509273
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]butanamide
CID 19549676
3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]propanamide
CID 17022862
2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]acetamide
CID 19521175
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480868
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(4-nitropyrazol-1-yl)propanamide
CID 19555678

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]urea (CID 19449716) is 1-(1-adamantyl)-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]urea is CCn1ncc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1C(=O)N1CCOCC1.
What is the InChIKey of 1-(1-adamantyl)-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]urea?
The InChIKey is UQJSOGBRSHMKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3/c1-2-26-18(19(27)25-3-5-29-6-4-25)17(13-22-26)23-20(28)24-21-10-14-7-15(11-21)9-16(8-14)12-21/h13-16H,2-12H2,1H3,(H2,23,24,28).
What are the key properties of 1-(1-adamantyl)-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]urea?
1-(1-adamantyl)-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]urea has a molecular weight of 401.51 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]urea is sourced from PubChem (CID 19449716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).