N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

C15H16N6OS — CID 71971062

IUPACN-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESCn1cc(-c2csc(NC(=O)C3CCCc4[nH]ncc43)n2)cn1
InChIInChI=1S/C15H16N6OS/c1-21-7-9(5-17-21)13-8-23-15(18-13)19-14(22)10-3-2-4-12-11(10)6-16-20-12/h5-8,10H,2-4H2,1H3,(H,16,20)(H,18,19,22)
InChIKeyNTPJKDINXKWQRM-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.33
Rot. Bonds3

About N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (PubChem CID 71971062) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
PubChem CID71971062
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC NameN-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESCn1cc(-c2csc(NC(=O)C3CCCc4[nH]ncc43)n2)cn1
InChIInChI=1S/C15H16N6OS/c1-21-7-9(5-17-21)13-8-23-15(18-13)19-14(22)10-3-2-4-12-11(10)6-16-20-12/h5-8,10H,2-4H2,1H3,(H,16,20)(H,18,19,22)
InChIKeyNTPJKDINXKWQRM-UHFFFAOYSA-N
XLogP2.33
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The IUPAC name of N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (CID 71971062) is N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.
What is the SMILES notation for N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The canonical SMILES for N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is Cn1cc(-c2csc(NC(=O)C3CCCc4[nH]ncc43)n2)cn1.
What is the InChIKey of N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The InChIKey is NTPJKDINXKWQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-21-7-9(5-17-21)13-8-23-15(18-13)19-14(22)10-3-2-4-12-11(10)6-16-20-12/h5-8,10H,2-4H2,1H3,(H,16,20)(H,18,19,22).
What are the key properties of N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is sourced from PubChem (CID 71971062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).