4-amino-5-cyclopropyl-N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-3-carboxamide

C13H21N5OS — CID 106324532

IUPAC4-amino-5-cyclopropyl-N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)NCCN2CCSCC2)n[nH]c1C1CC1
InChIInChI=1S/C13H21N5OS/c14-10-11(9-1-2-9)16-17-12(10)13(19)15-3-4-18-5-7-20-8-6-18/h9H,1-8,14H2,(H,15,19)(H,16,17)
InChIKeyMDCTWRUPEDNSRW-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.65
Rot. Bonds5

About 4-amino-5-cyclopropyl-N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-3-carboxamide

4-amino-5-cyclopropyl-N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 106324532) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-3-carboxamide
PubChem CID106324532
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name4-amino-5-cyclopropyl-N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)NCCN2CCSCC2)n[nH]c1C1CC1
InChIInChI=1S/C13H21N5OS/c14-10-11(9-1-2-9)16-17-12(10)13(19)15-3-4-18-5-7-20-8-6-18/h9H,1-8,14H2,(H,15,19)(H,16,17)
InChIKeyMDCTWRUPEDNSRW-UHFFFAOYSA-N
XLogP0.65
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide
CID 62077444
4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide
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CID 106333015
4-amino-5-cyclopropyl-N-hex-5-ynyl-1H-pyrazole-3-carboxamide
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4-amino-5-cyclopropyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-3-carboxamide
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4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
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4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-3-carboxamide (CID 106324532) is 4-amino-5-cyclopropyl-N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-3-carboxamide is Nc1c(C(=O)NCCN2CCSCC2)n[nH]c1C1CC1.
What is the InChIKey of 4-amino-5-cyclopropyl-N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is MDCTWRUPEDNSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c14-10-11(9-1-2-9)16-17-12(10)13(19)15-3-4-18-5-7-20-8-6-18/h9H,1-8,14H2,(H,15,19)(H,16,17).
What are the key properties of 4-amino-5-cyclopropyl-N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 106324532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).