N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide

C14H17FN6O — CID 171993467

IUPACN-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCN(c3ncc(F)cn3)CC2)n1
InChIInChI=1S/C14H17FN6O/c1-20-5-4-12(19-20)13(22)18-11-2-6-21(7-3-11)14-16-8-10(15)9-17-14/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,18,22)
InChIKeyCWRGJONWUVSDKW-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.75
Rot. Bonds3

About N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide

N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 171993467) has the molecular formula C14H17FN6O and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
PubChem CID171993467
Molecular FormulaC14H17FN6O
Molecular Weight304.33 g/mol
Exact Mass304.14
IUPAC NameN-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCN(c3ncc(F)cn3)CC2)n1
InChIInChI=1S/C14H17FN6O/c1-20-5-4-12(19-20)13(22)18-11-2-6-21(7-3-11)14-16-8-10(15)9-17-14/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,18,22)
InChIKeyCWRGJONWUVSDKW-UHFFFAOYSA-N
XLogP0.75
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993726
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993462
N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993681
N-[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171994191
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993626
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993643
1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide
CID 168910444
1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 103120955
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 103118001
N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171997340
N-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993464
N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 92567188

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide (CID 171993467) is N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NC2CCN(c3ncc(F)cn3)CC2)n1.
What is the InChIKey of N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is CWRGJONWUVSDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN6O/c1-20-5-4-12(19-20)13(22)18-11-2-6-21(7-3-11)14-16-8-10(15)9-17-14/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,18,22).
What are the key properties of N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 304.33 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 171993467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).