4-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C15H27N5O — CID 62076068

IUPAC4-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC1CCN(CCNC(=O)c2n[nH]c(C(C)C)c2N)CC1
InChIInChI=1S/C15H27N5O/c1-10(2)13-12(16)14(19-18-13)15(21)17-6-9-20-7-4-11(3)5-8-20/h10-11H,4-9,16H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyBXYAYLVJVDDGRX-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.58
Rot. Bonds5

About 4-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 62076068) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 4-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID62076068
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name4-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC1CCN(CCNC(=O)c2n[nH]c(C(C)C)c2N)CC1
InChIInChI=1S/C15H27N5O/c1-10(2)13-12(16)14(19-18-13)15(21)17-6-9-20-7-4-11(3)5-8-20/h10-11H,4-9,16H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyBXYAYLVJVDDGRX-UHFFFAOYSA-N
XLogP1.58
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61241466
4-amino-N-(2-piperidin-1-ylpropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
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4-amino-5-cyclopropyl-N-(2-thiomorpholin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 106324532
4-amino-3-ethyl-1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-5-carboxamide
CID 66123380
4-amino-N-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 63207158
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
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(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 62075582
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61266440
2,2-difluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide
CID 103515570
4-amino-N-morpholin-4-yl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 83012582

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 62076068) is 4-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC1CCN(CCNC(=O)c2n[nH]c(C(C)C)c2N)CC1.
What is the InChIKey of 4-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is BXYAYLVJVDDGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-10(2)13-12(16)14(19-18-13)15(21)17-6-9-20-7-4-11(3)5-8-20/h10-11H,4-9,16H2,1-3H3,(H,17,21)(H,18,19).
What are the key properties of 4-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 293.42 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62076068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).