N-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

C16H17F2N5O — CID 158269993

IUPACN-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESC[C@H](NC(=O)c1n[nH]c2ccc(-c3cnn(C)c3)cc12)C(C)(F)F
InChIInChI=1S/C16H17F2N5O/c1-9(16(2,17)18)20-15(24)14-12-6-10(4-5-13(12)21-22-14)11-7-19-23(3)8-11/h4-9H,1-3H3,(H,20,24)(H,21,22)/t9-/m0/s1
InChIKeyBTCPHNIQRVJXFT-VIFPVBQESA-N
MW333.34 g/mol
LogP2.74
Rot. Bonds4

About N-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

N-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 158269993) has the molecular formula C16H17F2N5O and a molecular weight of 333.34 g/mol. Its IUPAC name is N-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID158269993
Molecular FormulaC16H17F2N5O
Molecular Weight333.34 g/mol
Exact Mass333.14
IUPAC NameN-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESC[C@H](NC(=O)c1n[nH]c2ccc(-c3cnn(C)c3)cc12)C(C)(F)F
InChIInChI=1S/C16H17F2N5O/c1-9(16(2,17)18)20-15(24)14-12-6-10(4-5-13(12)21-22-14)11-7-19-23(3)8-11/h4-9H,1-3H3,(H,20,24)(H,21,22)/t9-/m0/s1
InChIKeyBTCPHNIQRVJXFT-VIFPVBQESA-N
XLogP2.74
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 158269993) is N-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is C[C@H](NC(=O)c1n[nH]c2ccc(-c3cnn(C)c3)cc12)C(C)(F)F.
What is the InChIKey of N-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is BTCPHNIQRVJXFT-VIFPVBQESA-N. The full InChI is InChI=1S/C16H17F2N5O/c1-9(16(2,17)18)20-15(24)14-12-6-10(4-5-13(12)21-22-14)11-7-19-23(3)8-11/h4-9H,1-3H3,(H,20,24)(H,21,22)/t9-/m0/s1.
What are the key properties of N-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
N-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 333.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 158269993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).