(4S)-4-amino-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutanamide

C19H20FN5O — CID 58665115

IUPAC(4S)-4-amino-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutanamide
SMILESCNC(=O)CC[C@H](N)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C19H20FN5O/c1-22-16(26)7-6-15(21)19-17(12-8-10-23-11-9-12)18(24-25-19)13-2-4-14(20)5-3-13/h2-5,8-11,15H,6-7,21H2,1H3,(H,22,26)(H,24,25)/t15-/m0/s1
InChIKeyRHBIYQSIFDNBSG-HNNXBMFYSA-N
MW353.40 g/mol
LogP2.80
Rot. Bonds6

About (4S)-4-amino-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutanamide

(4S)-4-amino-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutanamide (PubChem CID 58665115) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is (4S)-4-amino-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutanamide.

Molecular Properties

Compound Name(4S)-4-amino-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutanamide
PubChem CID58665115
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name(4S)-4-amino-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutanamide
SMILESCNC(=O)CC[C@H](N)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C19H20FN5O/c1-22-16(26)7-6-15(21)19-17(12-8-10-23-11-9-12)18(24-25-19)13-2-4-14(20)5-3-13/h2-5,8-11,15H,6-7,21H2,1H3,(H,22,26)(H,24,25)/t15-/m0/s1
InChIKeyRHBIYQSIFDNBSG-HNNXBMFYSA-N
XLogP2.80
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutanamide?
The IUPAC name of (4S)-4-amino-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutanamide (CID 58665115) is (4S)-4-amino-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutanamide.
What is the SMILES notation for (4S)-4-amino-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutanamide?
The canonical SMILES for (4S)-4-amino-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutanamide is CNC(=O)CC[C@H](N)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of (4S)-4-amino-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutanamide?
The InChIKey is RHBIYQSIFDNBSG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-22-16(26)7-6-15(21)19-17(12-8-10-23-11-9-12)18(24-25-19)13-2-4-14(20)5-3-13/h2-5,8-11,15H,6-7,21H2,1H3,(H,22,26)(H,24,25)/t15-/m0/s1.
What are the key properties of (4S)-4-amino-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutanamide?
(4S)-4-amino-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutanamide has a molecular weight of 353.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutanamide is sourced from PubChem (CID 58665115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).