N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

C17H23N5OS — CID 71982717

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCn1cc(CC2CCN(C(=O)NCc3csc(C4CC4)n3)C2)cn1
InChIInChI=1S/C17H23N5OS/c1-21-9-13(7-19-21)6-12-4-5-22(10-12)17(23)18-8-15-11-24-16(20-15)14-2-3-14/h7,9,11-12,14H,2-6,8,10H2,1H3,(H,18,23)
InChIKeyXNLXZTQSOKUQCO-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.53
Rot. Bonds5

About N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 71982717) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID71982717
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCn1cc(CC2CCN(C(=O)NCc3csc(C4CC4)n3)C2)cn1
InChIInChI=1S/C17H23N5OS/c1-21-9-13(7-19-21)6-12-4-5-22(10-12)17(23)18-8-15-11-24-16(20-15)14-2-3-14/h7,9,11-12,14H,2-6,8,10H2,1H3,(H,18,23)
InChIKeyXNLXZTQSOKUQCO-UHFFFAOYSA-N
XLogP2.53
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 45803839
1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51084067
4-[[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-propyl-1,3-thiazole
CID 53602914
4-[[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 53603908
N-methyl-N-[4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53612720
2-Cyclopentyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 56825166
2-Tert-butyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 56825180
N-[4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 56825323
3-[(1-methylpyrazol-4-yl)methyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 72110585
4-[[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 118741509
3-[(2-Tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-1-propylurea
CID 56783168
N-ethyl-N-[4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95570890

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (CID 71982717) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is Cn1cc(CC2CCN(C(=O)NCc3csc(C4CC4)n3)C2)cn1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is XNLXZTQSOKUQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-21-9-13(7-19-21)6-12-4-5-22(10-12)17(23)18-8-15-11-24-16(20-15)14-2-3-14/h7,9,11-12,14H,2-6,8,10H2,1H3,(H,18,23).
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71982717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).