4-(4-methoxypyrimidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide

C15H21N7O2 — CID 56826141

IUPAC4-(4-methoxypyrimidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCOc1ccnc(N2CCN(C(=O)NCc3cnn(C)c3)CC2)n1
InChIInChI=1S/C15H21N7O2/c1-20-11-12(10-18-20)9-17-15(23)22-7-5-21(6-8-22)14-16-4-3-13(19-14)24-2/h3-4,10-11H,5-9H2,1-2H3,(H,17,23)
InChIKeyNDLGXSYPTOYHCJ-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.25
Rot. Bonds4

About 4-(4-methoxypyrimidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide

4-(4-methoxypyrimidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide (PubChem CID 56826141) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-(4-methoxypyrimidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxypyrimidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide
PubChem CID56826141
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name4-(4-methoxypyrimidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCOc1ccnc(N2CCN(C(=O)NCc3cnn(C)c3)CC2)n1
InChIInChI=1S/C15H21N7O2/c1-20-11-12(10-18-20)9-17-15(23)22-7-5-21(6-8-22)14-16-4-3-13(19-14)24-2/h3-4,10-11H,5-9H2,1-2H3,(H,17,23)
InChIKeyNDLGXSYPTOYHCJ-UHFFFAOYSA-N
XLogP0.25
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 56798175
4-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidin-2-amine
CID 53623653
4-Methoxy-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pyrimidine
CID 72933701
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methoxypyrimidin-2-amine
CID 128972810
3-[2-[(4-Methoxypyrimidin-2-yl)amino]ethyl]-7-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 138008399
4-(4-methoxypyrimidin-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide
CID 126776688
N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-methoxypyrimidin-2-amine
CID 128990941
5-fluoro-4-methoxy-N-methyl-N-[3-(1H-pyrazol-1-yl)propyl]pyrimidin-2-amine
CID 129617916
N-ethyl-5-fluoro-4-methoxy-N-[2-(1H-pyrazol-1-yl)ethyl]pyrimidin-2-amine
CID 134714670
5-fluoro-4-methoxy-N-[1-methyl-2-(1H-pyrazol-1-yl)ethyl]pyrimidin-2-amine
CID 135091992
4-[(6-ethoxypyrimidin-4-yl)amino]-N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]piperidine-1-carboxamide
CID 139005588
3-methoxy-1-methyl-N-{[1-(pyrimidin-2-yl)piperidin-4-yl]methyl}-1H-pyrazole-4-carboxamide
CID 49687724

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypyrimidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-methoxypyrimidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide (CID 56826141) is 4-(4-methoxypyrimidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methoxypyrimidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methoxypyrimidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide is COc1ccnc(N2CCN(C(=O)NCc3cnn(C)c3)CC2)n1.
What is the InChIKey of 4-(4-methoxypyrimidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide?
The InChIKey is NDLGXSYPTOYHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-20-11-12(10-18-20)9-17-15(23)22-7-5-21(6-8-22)14-16-4-3-13(19-14)24-2/h3-4,10-11H,5-9H2,1-2H3,(H,17,23).
What are the key properties of 4-(4-methoxypyrimidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide?
4-(4-methoxypyrimidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypyrimidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 56826141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).