1-[4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea

C20H27N5O4 — CID 139012192

IUPAC1-[4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea
SMILESO=C(Nc1cnn(CCN2CCOCC2)c1)NC1(CO)CCOc2ccccc21
InChIInChI=1S/C20H27N5O4/c26-15-20(5-10-29-18-4-2-1-3-17(18)20)23-19(27)22-16-13-21-25(14-16)7-6-24-8-11-28-12-9-24/h1-4,13-14,26H,5-12,15H2,(H2,22,23,27)
InChIKeyKFZFMIHGNHZBID-UHFFFAOYSA-N
MW401.47 g/mol
LogP1.01
Rot. Bonds6

About 1-[4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea

1-[4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea (PubChem CID 139012192) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea
PubChem CID139012192
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Name1-[4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea
SMILESO=C(Nc1cnn(CCN2CCOCC2)c1)NC1(CO)CCOc2ccccc21
InChIInChI=1S/C20H27N5O4/c26-15-20(5-10-29-18-4-2-1-3-17(18)20)23-19(27)22-16-13-21-25(14-16)7-6-24-8-11-28-12-9-24/h1-4,13-14,26H,5-12,15H2,(H2,22,23,27)
InChIKeyKFZFMIHGNHZBID-UHFFFAOYSA-N
XLogP1.01
TPSA100.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
CID 138992785
trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 97081561
4-(2-morpholin-4-ylethyl)-2,3-dihydrochromene-4-carboxylic acid
CID 79423243
4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 121419957
1-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea
CID 139003219
4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523469
4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523458
6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 136523476
N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide
CID 139010727
N-(2,3-dihydro-1H-inden-1-yl)-N'-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]oxamide
CID 71849064
4-(methylsulfonylmethyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523477
[4-(ethylamino)-2,3-dihydrochromen-4-yl]methanol
CID 61048933

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-[4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea (CID 139012192) is 1-[4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-[4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-[4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea is O=C(Nc1cnn(CCN2CCOCC2)c1)NC1(CO)CCOc2ccccc21.
What is the InChIKey of 1-[4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea?
The InChIKey is KFZFMIHGNHZBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4/c26-15-20(5-10-29-18-4-2-1-3-17(18)20)23-19(27)22-16-13-21-25(14-16)7-6-24-8-11-28-12-9-24/h1-4,13-14,26H,5-12,15H2,(H2,22,23,27).
What are the key properties of 1-[4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea?
1-[4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea has a molecular weight of 401.47 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 139012192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).