1-(2-cyclopropylpyrimidine-5-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

C18H21N5O3 — CID 56904330

IUPAC1-(2-cyclopropylpyrimidine-5-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)c3cnc(C4CC4)nc3)CC2)c1
InChIInChI=1S/C18H21N5O3/c1-12-8-21-23(11-12)18(17(25)26)4-6-22(7-5-18)16(24)14-9-19-15(20-10-14)13-2-3-13/h8-11,13H,2-7H2,1H3,(H,25,26)
InChIKeyNVHGFDSPCROCNJ-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.58
Rot. Bonds4

About 1-(2-cyclopropylpyrimidine-5-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

1-(2-cyclopropylpyrimidine-5-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56904330) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-(2-cyclopropylpyrimidine-5-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropylpyrimidine-5-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56904330
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name1-(2-cyclopropylpyrimidine-5-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)c3cnc(C4CC4)nc3)CC2)c1
InChIInChI=1S/C18H21N5O3/c1-12-8-21-23(11-12)18(17(25)26)4-6-22(7-5-18)16(24)14-9-19-15(20-10-14)13-2-3-13/h8-11,13H,2-7H2,1H3,(H,25,26)
InChIKeyNVHGFDSPCROCNJ-UHFFFAOYSA-N
XLogP1.58
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpyrimidine-5-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-cyclopropylpyrimidine-5-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 56904330) is 1-(2-cyclopropylpyrimidine-5-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropylpyrimidine-5-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropylpyrimidine-5-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is Cc1cnn(C2(C(=O)O)CCN(C(=O)c3cnc(C4CC4)nc3)CC2)c1.
What is the InChIKey of 1-(2-cyclopropylpyrimidine-5-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is NVHGFDSPCROCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-12-8-21-23(11-12)18(17(25)26)4-6-22(7-5-18)16(24)14-9-19-15(20-10-14)13-2-3-13/h8-11,13H,2-7H2,1H3,(H,25,26).
What are the key properties of 1-(2-cyclopropylpyrimidine-5-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-(2-cyclopropylpyrimidine-5-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 355.40 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpyrimidine-5-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56904330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).