(2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorophenyl]propanamide

C20H25FN4O — CID 164806473

IUPAC(2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorophenyl]propanamide
SMILESCc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](N)C(C2CC2)C2CC2)cc1F
InChIInChI=1S/C20H25FN4O/c1-10-17(11(2)25-24-10)15-8-7-14(9-16(15)21)23-20(26)19(22)18(12-3-4-12)13-5-6-13/h7-9,12-13,18-19H,3-6,22H2,1-2H3,(H,23,26)(H,24,25)/t19-/m0/s1
InChIKeySEWPTSGCARITEU-IBGZPJMESA-N
MW356.45 g/mol
LogP3.53
Rot. Bonds6

About (2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorophenyl]propanamide

(2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorophenyl]propanamide (PubChem CID 164806473) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorophenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorophenyl]propanamide
PubChem CID164806473
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name(2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorophenyl]propanamide
SMILESCc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](N)C(C2CC2)C2CC2)cc1F
InChIInChI=1S/C20H25FN4O/c1-10-17(11(2)25-24-10)15-8-7-14(9-16(15)21)23-20(26)19(22)18(12-3-4-12)13-5-6-13/h7-9,12-13,18-19H,3-6,22H2,1-2H3,(H,23,26)(H,24,25)/t19-/m0/s1
InChIKeySEWPTSGCARITEU-IBGZPJMESA-N
XLogP3.53
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorophenyl]propanamide?
The IUPAC name of (2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorophenyl]propanamide (CID 164806473) is (2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorophenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorophenyl]propanamide?
The canonical SMILES for (2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorophenyl]propanamide is Cc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](N)C(C2CC2)C2CC2)cc1F.
What is the InChIKey of (2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorophenyl]propanamide?
The InChIKey is SEWPTSGCARITEU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25FN4O/c1-10-17(11(2)25-24-10)15-8-7-14(9-16(15)21)23-20(26)19(22)18(12-3-4-12)13-5-6-13/h7-9,12-13,18-19H,3-6,22H2,1-2H3,(H,23,26)(H,24,25)/t19-/m0/s1.
What are the key properties of (2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorophenyl]propanamide?
(2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorophenyl]propanamide has a molecular weight of 356.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorophenyl]propanamide is sourced from PubChem (CID 164806473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).