4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide

C17H21N5O3 — CID 136578207

IUPAC4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
SMILESNC(=O)NCc1ccc(C(=O)Nc2cnn(CC3CCCO3)c2)cc1
InChIInChI=1S/C17H21N5O3/c18-17(24)19-8-12-3-5-13(6-4-12)16(23)21-14-9-20-22(10-14)11-15-2-1-7-25-15/h3-6,9-10,15H,1-2,7-8,11H2,(H,21,23)(H3,18,19,24)
InChIKeyCZJGWWKHECEMNE-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.48
Rot. Bonds6

About 4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide

4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide (PubChem CID 136578207) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
PubChem CID136578207
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
SMILESNC(=O)NCc1ccc(C(=O)Nc2cnn(CC3CCCO3)c2)cc1
InChIInChI=1S/C17H21N5O3/c18-17(24)19-8-12-3-5-13(6-4-12)16(23)21-14-9-20-22(10-14)11-15-2-1-7-25-15/h3-6,9-10,15H,1-2,7-8,11H2,(H,21,23)(H3,18,19,24)
InChIKeyCZJGWWKHECEMNE-UHFFFAOYSA-N
XLogP1.48
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 129354391
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 165126942
4-nitro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145194
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide
CID 129356006
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 71911590
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 60782178
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 129354398
3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 86999899
5-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 47327915
2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanediamide
CID 60849618
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide (CID 136578207) is 4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide is NC(=O)NCc1ccc(C(=O)Nc2cnn(CC3CCCO3)c2)cc1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide?
The InChIKey is CZJGWWKHECEMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c18-17(24)19-8-12-3-5-13(6-4-12)16(23)21-14-9-20-22(10-14)11-15-2-1-7-25-15/h3-6,9-10,15H,1-2,7-8,11H2,(H,21,23)(H3,18,19,24).
What are the key properties of 4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide?
4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide has a molecular weight of 343.39 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 136578207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).