(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide

C14H16FN5O2 — CID 32610043

IUPAC(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(NC(=O)C[C@H](NC(N)=O)c2ccccc2F)cn1
InChIInChI=1S/C14H16FN5O2/c1-20-8-9(7-17-20)18-13(21)6-12(19-14(16)22)10-4-2-3-5-11(10)15/h2-5,7-8,12H,6H2,1H3,(H,18,21)(H3,16,19,22)/t12-/m0/s1
InChIKeyUPVUOVKAEHZLEN-LBPRGKRZSA-N
MW305.31 g/mol
LogP1.30
Rot. Bonds5

About (3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide

(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide (PubChem CID 32610043) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is (3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
PubChem CID32610043
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC Name(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(NC(=O)C[C@H](NC(N)=O)c2ccccc2F)cn1
InChIInChI=1S/C14H16FN5O2/c1-20-8-9(7-17-20)18-13(21)6-12(19-14(16)22)10-4-2-3-5-11(10)15/h2-5,7-8,12H,6H2,1H3,(H,18,21)(H3,16,19,22)/t12-/m0/s1
InChIKeyUPVUOVKAEHZLEN-LBPRGKRZSA-N
XLogP1.30
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(carbamoylamino)-3-(2-methylphenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32610026
(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32604442
(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32603960
(3R)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-nonylpropanamide
CID 98367833
(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1H-indazol-7-yl)propanamide
CID 31817367
3-(carbamoylamino)-N-(1,1-diphenylpropan-2-yl)-3-(2-fluorophenyl)propanamide
CID 42959553
3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide
CID 42953252
2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 52899463
1-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
CID 79769940
N-[1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
CID 75387183
(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 31846058
2-anilino-N-(1-methylpyrazol-4-yl)acetamide
CID 54927465

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of (3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide (CID 32610043) is (3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for (3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for (3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide is Cn1cc(NC(=O)C[C@H](NC(N)=O)c2ccccc2F)cn1.
What is the InChIKey of (3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is UPVUOVKAEHZLEN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16FN5O2/c1-20-8-9(7-17-20)18-13(21)6-12(19-14(16)22)10-4-2-3-5-11(10)15/h2-5,7-8,12H,6H2,1H3,(H,18,21)(H3,16,19,22)/t12-/m0/s1.
What are the key properties of (3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide?
(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 305.31 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 32610043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).