N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide

C20H21N5O2S — CID 1350909

IUPACN-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide
SMILESCN1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccs2)CC1
InChIInChI=1S/C20H21N5O2S/c1-23-9-11-24(12-10-23)20(27)16-14-21-25(15-6-3-2-4-7-15)18(16)22-19(26)17-8-5-13-28-17/h2-8,13-14H,9-12H2,1H3,(H,22,26)
InChIKeyAVCYPCIFSYGJLT-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.57
Rot. Bonds4

About N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide

N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide (PubChem CID 1350909) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide
PubChem CID1350909
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC NameN-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide
SMILESCN1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccs2)CC1
InChIInChI=1S/C20H21N5O2S/c1-23-9-11-24(12-10-23)20(27)16-14-21-25(15-6-3-2-4-7-15)18(16)22-19(26)17-8-5-13-28-17/h2-8,13-14H,9-12H2,1H3,(H,22,26)
InChIKeyAVCYPCIFSYGJLT-UHFFFAOYSA-N
XLogP2.57
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide (CID 1350909) is N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide is CN1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccs2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide?
The InChIKey is AVCYPCIFSYGJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-23-9-11-24(12-10-23)20(27)16-14-21-25(15-6-3-2-4-7-15)18(16)22-19(26)17-8-5-13-28-17/h2-8,13-14H,9-12H2,1H3,(H,22,26).
What are the key properties of N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide?
N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 1350909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).