7-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine

C19H26N6 — CID 56895804

IUPAC7-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnn(CC2CCN(c3cc(C(C)C)nc4ccnn34)CC2)c1
InChIInChI=1S/C19H26N6/c1-14(2)17-10-19(25-18(22-17)4-7-20-25)23-8-5-16(6-9-23)13-24-12-15(3)11-21-24/h4,7,10-12,14,16H,5-6,8-9,13H2,1-3H3
InChIKeyHXRMGRZWCIDATM-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.27
Rot. Bonds4

About 7-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine

7-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 56895804) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 7-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID56895804
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name7-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnn(CC2CCN(c3cc(C(C)C)nc4ccnn34)CC2)c1
InChIInChI=1S/C19H26N6/c1-14(2)17-10-19(25-18(22-17)4-7-20-25)23-8-5-16(6-9-23)13-24-12-15(3)11-21-24/h4,7,10-12,14,16H,5-6,8-9,13H2,1-3H3
InChIKeyHXRMGRZWCIDATM-UHFFFAOYSA-N
XLogP3.27
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 56895804) is 7-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine is Cc1cnn(CC2CCN(c3cc(C(C)C)nc4ccnn34)CC2)c1.
What is the InChIKey of 7-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is HXRMGRZWCIDATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-14(2)17-10-19(25-18(22-17)4-7-20-25)23-8-5-16(6-9-23)13-24-12-15(3)11-21-24/h4,7,10-12,14,16H,5-6,8-9,13H2,1-3H3.
What are the key properties of 7-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
7-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 338.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56895804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).